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Luthaf/dilated.pdb

Created February 21, 2017 11:06
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Raw
dilated.pdb
CRYST1 100.000 100.000 100.000 90.00 90.00 90.00 P 1 1
HETATM 1 He RES X 1 4.905 84.135 0.777 1.00 0.00 He
HETATM 2 He RES X 2 88.376 32.438 11.077 1.00 0.00 He
HETATM 3 He RES X 3 84.431 8.811 41.520 1.00 0.00 He
HETATM 4 He RES X 4 101.038 20.851 52.080 1.00 0.00 He
HETATM 5 He RES X 5 97.902 6.895 72.124 1.00 0.00 He
HETATM 6 He RES X 6 6.789 11.264 7.060 1.00 0.00 He
HETATM 7 He RES X 7 88.061 9.591 13.068 1.00 0.00 He
HETATM 8 He RES X 8 1.762 9.043 29.016 1.00 0.00 He
HETATM 9 He RES X 9 6.755 39.358 58.695 1.00 0.00 He
HETATM 10 He RES X 10 -0.910 27.919 73.147 1.00 0.00 He
HETATM 11 He RES X 11 97.311 19.696 90.915 1.00 0.00 He
HETATM 12 He RES X 12 90.224 24.716 30.316 1.00 0.00 He
HETATM 13 He RES X 13 3.854 53.817 43.018 1.00 0.00 He
HETATM 14 He RES X 14 10.670 61.547 60.459 1.00 0.00 He
HETATM 15 He RES X 15 97.833 47.261 78.972 1.00 0.00 He
HETATM 16 He RES X 16 71.735 51.391 81.592 1.00 0.00 He
HETATM 17 He RES X 17 31.289 63.942 18.410 1.00 0.00 He
HETATM 18 He RES X 18 4.518 69.034 25.313 1.00 0.00 He
HETATM 19 He RES X 19 97.414 72.665 47.667 1.00 0.00 He
HETATM 20 He RES X 20 18.254 40.425 73.645 1.00 0.00 He
HETATM 21 He RES X 21 14.647 58.548 86.106 1.00 0.00 He
HETATM 22 He RES X 22 84.241 85.443 4.506 1.00 0.00 He
HETATM 23 He RES X 23 9.361 88.841 37.777 1.00 0.00 He
HETATM 24 He RES X 24 85.507 86.461 58.669 1.00 0.00 He
HETATM 25 He RES X 25 67.630 -0.842 76.583 1.00 0.00 He
HETATM 26 He RES X 26 12.743 5.403 86.649 1.00 0.00 He
HETATM 27 He RES X 27 96.674 87.803 20.140 1.00 0.00 He
HETATM 28 He RES X 28 -0.206 100.883 54.002 1.00 0.00 He
HETATM 29 He RES X 29 20.134 5.492 43.543 1.00 0.00 He
HETATM 30 He RES X 30 26.551 73.221 74.705 1.00 0.00 He
HETATM 31 He RES X 31 23.158 21.556 9.827 1.00 0.00 He
HETATM 32 He RES X 32 26.062 22.297 31.605 1.00 0.00 He
HETATM 33 He RES X 33 9.069 36.427 36.059 1.00 0.00 He
HETATM 34 He RES X 34 17.945 5.170 63.973 1.00 0.00 He
HETATM 35 He RES X 35 21.064 27.061 51.890 1.00 0.00 He
HETATM 36 He RES X 36 24.861 44.031 7.040 1.00 0.00 He
HETATM 37 He RES X 37 15.605 50.961 25.186 1.00 0.00 He
HETATM 38 He RES X 38 9.615 33.009 16.727 1.00 0.00 He
HETATM 39 He RES X 39 35.031 10.100 56.252 1.00 0.00 He
HETATM 40 He RES X 40 16.049 28.378 89.616 1.00 0.00 He
HETATM 41 He RES X 41 3.142 39.070 98.368 1.00 0.00 He
HETATM 42 He RES X 42 18.213 68.682 39.865 1.00 0.00 He
HETATM 43 He RES X 43 13.033 82.820 57.555 1.00 0.00 He
HETATM 44 He RES X 44 25.612 48.751 47.620 1.00 0.00 He
HETATM 45 He RES X 45 42.653 79.805 90.706 1.00 0.00 He
HETATM 46 He RES X 46 21.307 95.277 3.207 1.00 0.00 He
HETATM 47 He RES X 47 19.565 81.439 17.776 1.00 0.00 He
HETATM 48 He RES X 48 20.939 3.038 21.782 1.00 0.00 He
HETATM 49 He RES X 49 10.704 87.103 78.442 1.00 0.00 He
HETATM 50 He RES X 50 23.900 73.966 96.273 1.00 0.00 He
HETATM 51 He RES X 51 37.423 80.919 10.334 1.00 0.00 He
HETATM 52 He RES X 52 56.072 14.729 7.087 1.00 0.00 He
HETATM 53 He RES X 53 76.258 70.154 73.278 1.00 0.00 He
HETATM 54 He RES X 54 46.415 95.872 72.887 1.00 0.00 He
HETATM 55 He RES X 55 62.291 81.365 84.375 1.00 0.00 He
HETATM 56 He RES X 56 51.013 93.823 4.500 1.00 0.00 He
HETATM 57 He RES X 57 38.095 0.605 30.964 1.00 0.00 He
HETATM 58 He RES X 58 48.473 96.786 48.133 1.00 0.00 He
HETATM 59 He RES X 59 44.217 16.303 74.411 1.00 0.00 He
HETATM 60 He RES X 60 25.743 19.488 73.778 1.00 0.00 He
HETATM 61 He RES X 61 34.470 38.079 89.853 1.00 0.00 He
HETATM 62 He RES X 62 44.368 25.544 45.089 1.00 0.00 He
HETATM 63 He RES X 63 60.312 34.176 56.011 1.00 0.00 He
HETATM 64 He RES X 64 37.137 34.990 63.835 1.00 0.00 He
HETATM 65 He RES X 65 38.893 55.347 95.151 1.00 0.00 He
HETATM 66 He RES X 66 35.211 41.049 28.269 1.00 0.00 He
HETATM 67 He RES X 67 39.294 60.078 35.910 1.00 0.00 He
HETATM 68 He RES X 68 31.250 67.026 55.090 1.00 0.00 He
HETATM 69 He RES X 69 33.810 87.363 56.754 1.00 0.00 He
HETATM 70 He RES X 70 45.961 75.738 67.716 1.00 0.00 He
HETATM 71 He RES X 71 49.329 52.109 19.577 1.00 0.00 He
HETATM 72 He RES X 72 49.964 77.017 26.007 1.00 0.00 He
HETATM 73 He RES X 73 31.399 82.572 36.026 1.00 0.00 He
HETATM 74 He RES X 74 51.433 67.935 6.909 1.00 0.00 He
HETATM 75 He RES X 75 30.305 95.757 83.811 1.00 0.00 He
HETATM 76 He RES X 76 69.844 99.186 103.136 1.00 0.00 He
HETATM 77 He RES X 77 74.125 18.285 98.540 1.00 0.00 He
HETATM 78 He RES X 78 57.513 99.047 23.771 1.00 0.00 He
HETATM 79 He RES X 79 64.910 83.924 64.255 1.00 0.00 He
HETATM 80 He RES X 80 62.344 22.796 75.838 1.00 0.00 He
HETATM 81 He RES X 81 54.242 28.261 91.484 1.00 0.00 He
HETATM 82 He RES X 82 36.577 16.818 92.608 1.00 0.00 He
HETATM 83 He RES X 83 35.984 6.389 11.393 1.00 0.00 He
HETATM 84 He RES X 84 59.913 11.165 59.478 1.00 0.00 He
HETATM 85 He RES X 85 58.715 49.535 100.161 1.00 0.00 He
HETATM 86 He RES X 86 68.137 34.026 10.541 1.00 0.00 He
HETATM 87 He RES X 87 45.293 18.857 25.317 1.00 0.00 He
HETATM 88 He RES X 88 68.799 17.358 22.463 1.00 0.00 He
HETATM 89 He RES X 89 74.579 43.957 29.616 1.00 0.00 He
HETATM 90 He RES X 90 52.054 43.134 77.547 1.00 0.00 He
HETATM 91 He RES X 91 45.855 33.668 11.292 1.00 0.00 He
HETATM 92 He RES X 92 66.342 61.017 18.849 1.00 0.00 He
HETATM 93 He RES X 93 56.440 35.065 30.721 1.00 0.00 He
HETATM 94 He RES X 94 46.733 49.000 54.431 1.00 0.00 He
HETATM 95 He RES X 95 54.231 62.665 85.375 1.00 0.00 He
HETATM 96 He RES X 96 77.831 68.922 97.501 1.00 0.00 He
HETATM 97 He RES X 97 72.857 77.659 31.783 1.00 0.00 He
HETATM 98 He RES X 98 53.712 73.381 46.576 1.00 0.00 He
HETATM 99 He RES X 99 59.462 57.613 37.292 1.00 0.00 He
HETATM 100 He RES X 100 54.906 4.971 89.089 1.00 0.00 He
HETATM 101 He RES X 101 88.601 1.642 92.084 1.00 0.00 He
HETATM 102 He RES X 102 66.672 80.833 13.649 1.00 0.00 He
HETATM 103 He RES X 103 77.629 96.751 24.495 1.00 0.00 He
HETATM 104 He RES X 104 74.784 27.717 43.997 1.00 0.00 He
HETATM 105 He RES X 105 81.516 8.803 60.205 1.00 0.00 He
HETATM 106 He RES X 106 81.212 35.169 87.908 1.00 0.00 He
HETATM 107 He RES X 107 57.855 11.734 38.537 1.00 0.00 He
HETATM 108 He RES X 108 71.513 48.961 50.753 1.00 0.00 He
HETATM 109 He RES X 109 89.948 39.479 45.748 1.00 0.00 He
HETATM 110 He RES X 110 79.861 14.607 80.385 1.00 0.00 He
HETATM 111 He RES X 111 82.841 50.544 6.105 1.00 0.00 He
HETATM 112 He RES X 112 96.386 47.933 21.851 1.00 0.00 He
HETATM 113 He RES X 113 85.691 60.799 34.697 1.00 0.00 He
HETATM 114 He RES X 114 90.043 58.344 60.871 1.00 0.00 He
HETATM 115 He RES X 115 77.195 35.311 66.173 1.00 0.00 He
HETATM 116 He RES X 116 96.214 60.228 94.896 1.00 0.00 He
HETATM 117 He RES X 117 85.747 69.836 15.224 1.00 0.00 He
HETATM 118 He RES X 118 74.675 70.603 51.765 1.00 0.00 He
HETATM 119 He RES X 119 33.945 54.861 72.038 1.00 0.00 He
HETATM 120 He RES X 120 99.326 69.511 77.548 1.00 0.00 He
HETATM 121 He RES X 121 14.782 59.909 5.328 1.00 0.00 He
HETATM 122 He RES X 122 91.010 89.161 39.764 1.00 0.00 He
HETATM 123 He RES X 123 69.889 93.213 44.871 1.00 0.00 He
HETATM 124 He RES X 124 59.318 60.965 64.302 1.00 0.00 He
HETATM 125 He RES X 125 85.795 86.571 80.668 1.00 0.00 He
END
Raw
generate.py
from chemfiles import Trajectory, UnitCell, Frame, Atom, Topology
def dilate_helium(factor):
trajectory = Trajectory("tests/data/helium.xyz")
frame = trajectory.read()
positions = frame.positions()
for i in range(len(frame)):
positions[i] *= factor
L = factor * factor
frame.set_cell(UnitCell(L, L, L))
Trajectory("dilated.pdb", 'w').write(frame)
def generate_water(output, size):
frame = Frame()
frame.set_cell(UnitCell(28.0, 28.0, 28.0))
frame.resize(3*size*size*size)
positions = frame.positions()
topology = Topology()
xh = 0.634859709040957
yh = 0.8983057106778469
index = 0
delta = 28.0 / size
for i in range(size):
for j in range(size):
for k in range(size):
x, y, z = (i * delta, j * delta, k * delta)
topology.add_atom(Atom("O"))
positions[index] = [x, y, z]
topology.add_atom(Atom("H"))
positions[index + 1] = [x + xh, y + yh, z]
topology.add_atom(Atom("H"))
positions[index + 2] = [x - xh, y + yh, z]
topology.add_bond(index, index + 1)
topology.add_bond(index, index + 2)
index += 3
frame.set_topology(topology)
Trajectory(output, 'w').write(frame)
if __name__ == '__main__':
generate_water("water.pdb", 5)
generate_water("water-small.pdb", 3)
dilate_helium(10)
Raw
water-small.pdb
CRYST1 28.000 28.000 28.000 90.00 90.00 90.00 P 1 1
HETATM 1 O RES X 1 0.000 0.000 0.000 1.00 0.00 O
HETATM 2 H RES X 2 0.635 0.898 0.000 1.00 0.00 H
HETATM 3 H RES X 3 -0.635 0.898 0.000 1.00 0.00 H
HETATM 4 O RES X 4 0.000 0.000 9.333 1.00 0.00 O
HETATM 5 H RES X 5 0.635 0.898 9.333 1.00 0.00 H
HETATM 6 H RES X 6 -0.635 0.898 9.333 1.00 0.00 H
HETATM 7 O RES X 7 0.000 0.000 18.667 1.00 0.00 O
HETATM 8 H RES X 8 0.635 0.898 18.667 1.00 0.00 H
HETATM 9 H RES X 9 -0.635 0.898 18.667 1.00 0.00 H
HETATM 10 O RES X 10 0.000 9.333 0.000 1.00 0.00 O
HETATM 11 H RES X 11 0.635 10.232 0.000 1.00 0.00 H
HETATM 12 H RES X 12 -0.635 10.232 0.000 1.00 0.00 H
HETATM 13 O RES X 13 0.000 9.333 9.333 1.00 0.00 O
HETATM 14 H RES X 14 0.635 10.232 9.333 1.00 0.00 H
HETATM 15 H RES X 15 -0.635 10.232 9.333 1.00 0.00 H
HETATM 16 O RES X 16 0.000 9.333 18.667 1.00 0.00 O
HETATM 17 H RES X 17 0.635 10.232 18.667 1.00 0.00 H
HETATM 18 H RES X 18 -0.635 10.232 18.667 1.00 0.00 H
HETATM 19 O RES X 19 0.000 18.667 0.000 1.00 0.00 O
HETATM 20 H RES X 20 0.635 19.565 0.000 1.00 0.00 H
HETATM 21 H RES X 21 -0.635 19.565 0.000 1.00 0.00 H
HETATM 22 O RES X 22 0.000 18.667 9.333 1.00 0.00 O
HETATM 23 H RES X 23 0.635 19.565 9.333 1.00 0.00 H
HETATM 24 H RES X 24 -0.635 19.565 9.333 1.00 0.00 H
HETATM 25 O RES X 25 0.000 18.667 18.667 1.00 0.00 O
HETATM 26 H RES X 26 0.635 19.565 18.667 1.00 0.00 H
HETATM 27 H RES X 27 -0.635 19.565 18.667 1.00 0.00 H
HETATM 28 O RES X 28 9.333 0.000 0.000 1.00 0.00 O
HETATM 29 H RES X 29 9.968 0.898 0.000 1.00 0.00 H
HETATM 30 H RES X 30 8.698 0.898 0.000 1.00 0.00 H
HETATM 31 O RES X 31 9.333 0.000 9.333 1.00 0.00 O
HETATM 32 H RES X 32 9.968 0.898 9.333 1.00 0.00 H
HETATM 33 H RES X 33 8.698 0.898 9.333 1.00 0.00 H
HETATM 34 O RES X 34 9.333 0.000 18.667 1.00 0.00 O
HETATM 35 H RES X 35 9.968 0.898 18.667 1.00 0.00 H
HETATM 36 H RES X 36 8.698 0.898 18.667 1.00 0.00 H
HETATM 37 O RES X 37 9.333 9.333 0.000 1.00 0.00 O
HETATM 38 H RES X 38 9.968 10.232 0.000 1.00 0.00 H
HETATM 39 H RES X 39 8.698 10.232 0.000 1.00 0.00 H
HETATM 40 O RES X 40 9.333 9.333 9.333 1.00 0.00 O
HETATM 41 H RES X 41 9.968 10.232 9.333 1.00 0.00 H
HETATM 42 H RES X 42 8.698 10.232 9.333 1.00 0.00 H
HETATM 43 O RES X 43 9.333 9.333 18.667 1.00 0.00 O
HETATM 44 H RES X 44 9.968 10.232 18.667 1.00 0.00 H
HETATM 45 H RES X 45 8.698 10.232 18.667 1.00 0.00 H
HETATM 46 O RES X 46 9.333 18.667 0.000 1.00 0.00 O
HETATM 47 H RES X 47 9.968 19.565 0.000 1.00 0.00 H
HETATM 48 H RES X 48 8.698 19.565 0.000 1.00 0.00 H
HETATM 49 O RES X 49 9.333 18.667 9.333 1.00 0.00 O
HETATM 50 H RES X 50 9.968 19.565 9.333 1.00 0.00 H
HETATM 51 H RES X 51 8.698 19.565 9.333 1.00 0.00 H
HETATM 52 O RES X 52 9.333 18.667 18.667 1.00 0.00 O
HETATM 53 H RES X 53 9.968 19.565 18.667 1.00 0.00 H
HETATM 54 H RES X 54 8.698 19.565 18.667 1.00 0.00 H
HETATM 55 O RES X 55 18.667 0.000 0.000 1.00 0.00 O
HETATM 56 H RES X 56 19.302 0.898 0.000 1.00 0.00 H
HETATM 57 H RES X 57 18.032 0.898 0.000 1.00 0.00 H
HETATM 58 O RES X 58 18.667 0.000 9.333 1.00 0.00 O
HETATM 59 H RES X 59 19.302 0.898 9.333 1.00 0.00 H
HETATM 60 H RES X 60 18.032 0.898 9.333 1.00 0.00 H
HETATM 61 O RES X 61 18.667 0.000 18.667 1.00 0.00 O
HETATM 62 H RES X 62 19.302 0.898 18.667 1.00 0.00 H
HETATM 63 H RES X 63 18.032 0.898 18.667 1.00 0.00 H
HETATM 64 O RES X 64 18.667 9.333 0.000 1.00 0.00 O
HETATM 65 H RES X 65 19.302 10.232 0.000 1.00 0.00 H
HETATM 66 H RES X 66 18.032 10.232 0.000 1.00 0.00 H
HETATM 67 O RES X 67 18.667 9.333 9.333 1.00 0.00 O
HETATM 68 H RES X 68 19.302 10.232 9.333 1.00 0.00 H
HETATM 69 H RES X 69 18.032 10.232 9.333 1.00 0.00 H
HETATM 70 O RES X 70 18.667 9.333 18.667 1.00 0.00 O
HETATM 71 H RES X 71 19.302 10.232 18.667 1.00 0.00 H
HETATM 72 H RES X 72 18.032 10.232 18.667 1.00 0.00 H
HETATM 73 O RES X 73 18.667 18.667 0.000 1.00 0.00 O
HETATM 74 H RES X 74 19.302 19.565 0.000 1.00 0.00 H
HETATM 75 H RES X 75 18.032 19.565 0.000 1.00 0.00 H
HETATM 76 O RES X 76 18.667 18.667 9.333 1.00 0.00 O
HETATM 77 H RES X 77 19.302 19.565 9.333 1.00 0.00 H
HETATM 78 H RES X 78 18.032 19.565 9.333 1.00 0.00 H
HETATM 79 O RES X 79 18.667 18.667 18.667 1.00 0.00 O
HETATM 80 H RES X 80 19.302 19.565 18.667 1.00 0.00 H
HETATM 81 H RES X 81 18.032 19.565 18.667 1.00 0.00 H
CONECT 1 2 3
CONECT 2 1
CONECT 3 1
CONECT 4 5 6
CONECT 5 4
CONECT 6 4
CONECT 7 8 9
CONECT 8 7
CONECT 9 7
CONECT 10 11 12
CONECT 11 10
CONECT 12 10
CONECT 13 14 15
CONECT 14 13
CONECT 15 13
CONECT 16 17 18
CONECT 17 16
CONECT 18 16
CONECT 19 20 21
CONECT 20 19
CONECT 21 19
CONECT 22 23 24
CONECT 23 22
CONECT 24 22
CONECT 25 26 27
CONECT 26 25
CONECT 27 25
CONECT 28 29 30
CONECT 29 28
CONECT 30 28
CONECT 31 32 33
CONECT 32 31
CONECT 33 31
CONECT 34 35 36
CONECT 35 34
CONECT 36 34
CONECT 37 38 39
CONECT 38 37
CONECT 39 37
CONECT 40 41 42
CONECT 41 40
CONECT 42 40
CONECT 43 44 45
CONECT 44 43
CONECT 45 43
CONECT 46 47 48
CONECT 47 46
CONECT 48 46
CONECT 49 50 51
CONECT 50 49
CONECT 51 49
CONECT 52 53 54
CONECT 53 52
CONECT 54 52
CONECT 55 56 57
CONECT 56 55
CONECT 57 55
CONECT 58 59 60
CONECT 59 58
CONECT 60 58
CONECT 61 62 63
CONECT 62 61
CONECT 63 61
CONECT 64 65 66
CONECT 65 64
CONECT 66 64
CONECT 67 68 69
CONECT 68 67
CONECT 69 67
CONECT 70 71 72
CONECT 71 70
CONECT 72 70
CONECT 73 74 75
CONECT 74 73
CONECT 75 73
CONECT 76 77 78
CONECT 77 76
CONECT 78 76
CONECT 79 80 81
CONECT 80 79
CONECT 81 79
END
Raw
water.pdb
CRYST1 28.000 28.000 28.000 90.00 90.00 90.00 P 1 1
HETATM 1 O RES X 1 0.000 0.000 0.000 1.00 0.00 O
HETATM 2 H RES X 2 0.635 0.898 0.000 1.00 0.00 H
HETATM 3 H RES X 3 -0.635 0.898 0.000 1.00 0.00 H
HETATM 4 O RES X 4 0.000 0.000 5.600 1.00 0.00 O
HETATM 5 H RES X 5 0.635 0.898 5.600 1.00 0.00 H
HETATM 6 H RES X 6 -0.635 0.898 5.600 1.00 0.00 H
HETATM 7 O RES X 7 0.000 0.000 11.200 1.00 0.00 O
HETATM 8 H RES X 8 0.635 0.898 11.200 1.00 0.00 H
HETATM 9 H RES X 9 -0.635 0.898 11.200 1.00 0.00 H
HETATM 10 O RES X 10 0.000 0.000 16.800 1.00 0.00 O
HETATM 11 H RES X 11 0.635 0.898 16.800 1.00 0.00 H
HETATM 12 H RES X 12 -0.635 0.898 16.800 1.00 0.00 H
HETATM 13 O RES X 13 0.000 0.000 22.400 1.00 0.00 O
HETATM 14 H RES X 14 0.635 0.898 22.400 1.00 0.00 H
HETATM 15 H RES X 15 -0.635 0.898 22.400 1.00 0.00 H
HETATM 16 O RES X 16 0.000 5.600 0.000 1.00 0.00 O
HETATM 17 H RES X 17 0.635 6.498 0.000 1.00 0.00 H
HETATM 18 H RES X 18 -0.635 6.498 0.000 1.00 0.00 H
HETATM 19 O RES X 19 0.000 5.600 5.600 1.00 0.00 O
HETATM 20 H RES X 20 0.635 6.498 5.600 1.00 0.00 H
HETATM 21 H RES X 21 -0.635 6.498 5.600 1.00 0.00 H
HETATM 22 O RES X 22 0.000 5.600 11.200 1.00 0.00 O
HETATM 23 H RES X 23 0.635 6.498 11.200 1.00 0.00 H
HETATM 24 H RES X 24 -0.635 6.498 11.200 1.00 0.00 H
HETATM 25 O RES X 25 0.000 5.600 16.800 1.00 0.00 O
HETATM 26 H RES X 26 0.635 6.498 16.800 1.00 0.00 H
HETATM 27 H RES X 27 -0.635 6.498 16.800 1.00 0.00 H
HETATM 28 O RES X 28 0.000 5.600 22.400 1.00 0.00 O
HETATM 29 H RES X 29 0.635 6.498 22.400 1.00 0.00 H
HETATM 30 H RES X 30 -0.635 6.498 22.400 1.00 0.00 H
HETATM 31 O RES X 31 0.000 11.200 0.000 1.00 0.00 O
HETATM 32 H RES X 32 0.635 12.098 0.000 1.00 0.00 H
HETATM 33 H RES X 33 -0.635 12.098 0.000 1.00 0.00 H
HETATM 34 O RES X 34 0.000 11.200 5.600 1.00 0.00 O
HETATM 35 H RES X 35 0.635 12.098 5.600 1.00 0.00 H
HETATM 36 H RES X 36 -0.635 12.098 5.600 1.00 0.00 H
HETATM 37 O RES X 37 0.000 11.200 11.200 1.00 0.00 O
HETATM 38 H RES X 38 0.635 12.098 11.200 1.00 0.00 H
HETATM 39 H RES X 39 -0.635 12.098 11.200 1.00 0.00 H
HETATM 40 O RES X 40 0.000 11.200 16.800 1.00 0.00 O
HETATM 41 H RES X 41 0.635 12.098 16.800 1.00 0.00 H
HETATM 42 H RES X 42 -0.635 12.098 16.800 1.00 0.00 H
HETATM 43 O RES X 43 0.000 11.200 22.400 1.00 0.00 O
HETATM 44 H RES X 44 0.635 12.098 22.400 1.00 0.00 H
HETATM 45 H RES X 45 -0.635 12.098 22.400 1.00 0.00 H
HETATM 46 O RES X 46 0.000 16.800 0.000 1.00 0.00 O
HETATM 47 H RES X 47 0.635 17.698 0.000 1.00 0.00 H
HETATM 48 H RES X 48 -0.635 17.698 0.000 1.00 0.00 H
HETATM 49 O RES X 49 0.000 16.800 5.600 1.00 0.00 O
HETATM 50 H RES X 50 0.635 17.698 5.600 1.00 0.00 H
HETATM 51 H RES X 51 -0.635 17.698 5.600 1.00 0.00 H
HETATM 52 O RES X 52 0.000 16.800 11.200 1.00 0.00 O
HETATM 53 H RES X 53 0.635 17.698 11.200 1.00 0.00 H
HETATM 54 H RES X 54 -0.635 17.698 11.200 1.00 0.00 H
HETATM 55 O RES X 55 0.000 16.800 16.800 1.00 0.00 O
HETATM 56 H RES X 56 0.635 17.698 16.800 1.00 0.00 H
HETATM 57 H RES X 57 -0.635 17.698 16.800 1.00 0.00 H
HETATM 58 O RES X 58 0.000 16.800 22.400 1.00 0.00 O
HETATM 59 H RES X 59 0.635 17.698 22.400 1.00 0.00 H
HETATM 60 H RES X 60 -0.635 17.698 22.400 1.00 0.00 H
HETATM 61 O RES X 61 0.000 22.400 0.000 1.00 0.00 O
HETATM 62 H RES X 62 0.635 23.298 0.000 1.00 0.00 H
HETATM 63 H RES X 63 -0.635 23.298 0.000 1.00 0.00 H
HETATM 64 O RES X 64 0.000 22.400 5.600 1.00 0.00 O
HETATM 65 H RES X 65 0.635 23.298 5.600 1.00 0.00 H
HETATM 66 H RES X 66 -0.635 23.298 5.600 1.00 0.00 H
HETATM 67 O RES X 67 0.000 22.400 11.200 1.00 0.00 O
HETATM 68 H RES X 68 0.635 23.298 11.200 1.00 0.00 H
HETATM 69 H RES X 69 -0.635 23.298 11.200 1.00 0.00 H
HETATM 70 O RES X 70 0.000 22.400 16.800 1.00 0.00 O
HETATM 71 H RES X 71 0.635 23.298 16.800 1.00 0.00 H
HETATM 72 H RES X 72 -0.635 23.298 16.800 1.00 0.00 H
HETATM 73 O RES X 73 0.000 22.400 22.400 1.00 0.00 O
HETATM 74 H RES X 74 0.635 23.298 22.400 1.00 0.00 H
HETATM 75 H RES X 75 -0.635 23.298 22.400 1.00 0.00 H
HETATM 76 O RES X 76 5.600 0.000 0.000 1.00 0.00 O
HETATM 77 H RES X 77 6.235 0.898 0.000 1.00 0.00 H
HETATM 78 H RES X 78 4.965 0.898 0.000 1.00 0.00 H
HETATM 79 O RES X 79 5.600 0.000 5.600 1.00 0.00 O
HETATM 80 H RES X 80 6.235 0.898 5.600 1.00 0.00 H
HETATM 81 H RES X 81 4.965 0.898 5.600 1.00 0.00 H
HETATM 82 O RES X 82 5.600 0.000 11.200 1.00 0.00 O
HETATM 83 H RES X 83 6.235 0.898 11.200 1.00 0.00 H
HETATM 84 H RES X 84 4.965 0.898 11.200 1.00 0.00 H
HETATM 85 O RES X 85 5.600 0.000 16.800 1.00 0.00 O
HETATM 86 H RES X 86 6.235 0.898 16.800 1.00 0.00 H
HETATM 87 H RES X 87 4.965 0.898 16.800 1.00 0.00 H
HETATM 88 O RES X 88 5.600 0.000 22.400 1.00 0.00 O
HETATM 89 H RES X 89 6.235 0.898 22.400 1.00 0.00 H
HETATM 90 H RES X 90 4.965 0.898 22.400 1.00 0.00 H
HETATM 91 O RES X 91 5.600 5.600 0.000 1.00 0.00 O
HETATM 92 H RES X 92 6.235 6.498 0.000 1.00 0.00 H
HETATM 93 H RES X 93 4.965 6.498 0.000 1.00 0.00 H
HETATM 94 O RES X 94 5.600 5.600 5.600 1.00 0.00 O
HETATM 95 H RES X 95 6.235 6.498 5.600 1.00 0.00 H
HETATM 96 H RES X 96 4.965 6.498 5.600 1.00 0.00 H
HETATM 97 O RES X 97 5.600 5.600 11.200 1.00 0.00 O
HETATM 98 H RES X 98 6.235 6.498 11.200 1.00 0.00 H
HETATM 99 H RES X 99 4.965 6.498 11.200 1.00 0.00 H
HETATM 100 O RES X 100 5.600 5.600 16.800 1.00 0.00 O
HETATM 101 H RES X 101 6.235 6.498 16.800 1.00 0.00 H
HETATM 102 H RES X 102 4.965 6.498 16.800 1.00 0.00 H
HETATM 103 O RES X 103 5.600 5.600 22.400 1.00 0.00 O
HETATM 104 H RES X 104 6.235 6.498 22.400 1.00 0.00 H
HETATM 105 H RES X 105 4.965 6.498 22.400 1.00 0.00 H
HETATM 106 O RES X 106 5.600 11.200 0.000 1.00 0.00 O
HETATM 107 H RES X 107 6.235 12.098 0.000 1.00 0.00 H
HETATM 108 H RES X 108 4.965 12.098 0.000 1.00 0.00 H
HETATM 109 O RES X 109 5.600 11.200 5.600 1.00 0.00 O
HETATM 110 H RES X 110 6.235 12.098 5.600 1.00 0.00 H
HETATM 111 H RES X 111 4.965 12.098 5.600 1.00 0.00 H
HETATM 112 O RES X 112 5.600 11.200 11.200 1.00 0.00 O
HETATM 113 H RES X 113 6.235 12.098 11.200 1.00 0.00 H
HETATM 114 H RES X 114 4.965 12.098 11.200 1.00 0.00 H
HETATM 115 O RES X 115 5.600 11.200 16.800 1.00 0.00 O
HETATM 116 H RES X 116 6.235 12.098 16.800 1.00 0.00 H
HETATM 117 H RES X 117 4.965 12.098 16.800 1.00 0.00 H
HETATM 118 O RES X 118 5.600 11.200 22.400 1.00 0.00 O
HETATM 119 H RES X 119 6.235 12.098 22.400 1.00 0.00 H
HETATM 120 H RES X 120 4.965 12.098 22.400 1.00 0.00 H
HETATM 121 O RES X 121 5.600 16.800 0.000 1.00 0.00 O
HETATM 122 H RES X 122 6.235 17.698 0.000 1.00 0.00 H
HETATM 123 H RES X 123 4.965 17.698 0.000 1.00 0.00 H
HETATM 124 O RES X 124 5.600 16.800 5.600 1.00 0.00 O
HETATM 125 H RES X 125 6.235 17.698 5.600 1.00 0.00 H
HETATM 126 H RES X 126 4.965 17.698 5.600 1.00 0.00 H
HETATM 127 O RES X 127 5.600 16.800 11.200 1.00 0.00 O
HETATM 128 H RES X 128 6.235 17.698 11.200 1.00 0.00 H
HETATM 129 H RES X 129 4.965 17.698 11.200 1.00 0.00 H
HETATM 130 O RES X 130 5.600 16.800 16.800 1.00 0.00 O
HETATM 131 H RES X 131 6.235 17.698 16.800 1.00 0.00 H
HETATM 132 H RES X 132 4.965 17.698 16.800 1.00 0.00 H
HETATM 133 O RES X 133 5.600 16.800 22.400 1.00 0.00 O
HETATM 134 H RES X 134 6.235 17.698 22.400 1.00 0.00 H
HETATM 135 H RES X 135 4.965 17.698 22.400 1.00 0.00 H
HETATM 136 O RES X 136 5.600 22.400 0.000 1.00 0.00 O
HETATM 137 H RES X 137 6.235 23.298 0.000 1.00 0.00 H
HETATM 138 H RES X 138 4.965 23.298 0.000 1.00 0.00 H
HETATM 139 O RES X 139 5.600 22.400 5.600 1.00 0.00 O
HETATM 140 H RES X 140 6.235 23.298 5.600 1.00 0.00 H
HETATM 141 H RES X 141 4.965 23.298 5.600 1.00 0.00 H
HETATM 142 O RES X 142 5.600 22.400 11.200 1.00 0.00 O
HETATM 143 H RES X 143 6.235 23.298 11.200 1.00 0.00 H
HETATM 144 H RES X 144 4.965 23.298 11.200 1.00 0.00 H
HETATM 145 O RES X 145 5.600 22.400 16.800 1.00 0.00 O
HETATM 146 H RES X 146 6.235 23.298 16.800 1.00 0.00 H
HETATM 147 H RES X 147 4.965 23.298 16.800 1.00 0.00 H
HETATM 148 O RES X 148 5.600 22.400 22.400 1.00 0.00 O
HETATM 149 H RES X 149 6.235 23.298 22.400 1.00 0.00 H
HETATM 150 H RES X 150 4.965 23.298 22.400 1.00 0.00 H
HETATM 151 O RES X 151 11.200 0.000 0.000 1.00 0.00 O
HETATM 152 H RES X 152 11.835 0.898 0.000 1.00 0.00 H
HETATM 153 H RES X 153 10.565 0.898 0.000 1.00 0.00 H
HETATM 154 O RES X 154 11.200 0.000 5.600 1.00 0.00 O
HETATM 155 H RES X 155 11.835 0.898 5.600 1.00 0.00 H
HETATM 156 H RES X 156 10.565 0.898 5.600 1.00 0.00 H
HETATM 157 O RES X 157 11.200 0.000 11.200 1.00 0.00 O
HETATM 158 H RES X 158 11.835 0.898 11.200 1.00 0.00 H
HETATM 159 H RES X 159 10.565 0.898 11.200 1.00 0.00 H
HETATM 160 O RES X 160 11.200 0.000 16.800 1.00 0.00 O
HETATM 161 H RES X 161 11.835 0.898 16.800 1.00 0.00 H
HETATM 162 H RES X 162 10.565 0.898 16.800 1.00 0.00 H
HETATM 163 O RES X 163 11.200 0.000 22.400 1.00 0.00 O
HETATM 164 H RES X 164 11.835 0.898 22.400 1.00 0.00 H
HETATM 165 H RES X 165 10.565 0.898 22.400 1.00 0.00 H
HETATM 166 O RES X 166 11.200 5.600 0.000 1.00 0.00 O
HETATM 167 H RES X 167 11.835 6.498 0.000 1.00 0.00 H
HETATM 168 H RES X 168 10.565 6.498 0.000 1.00 0.00 H
HETATM 169 O RES X 169 11.200 5.600 5.600 1.00 0.00 O
HETATM 170 H RES X 170 11.835 6.498 5.600 1.00 0.00 H
HETATM 171 H RES X 171 10.565 6.498 5.600 1.00 0.00 H
HETATM 172 O RES X 172 11.200 5.600 11.200 1.00 0.00 O
HETATM 173 H RES X 173 11.835 6.498 11.200 1.00 0.00 H
HETATM 174 H RES X 174 10.565 6.498 11.200 1.00 0.00 H
HETATM 175 O RES X 175 11.200 5.600 16.800 1.00 0.00 O
HETATM 176 H RES X 176 11.835 6.498 16.800 1.00 0.00 H
HETATM 177 H RES X 177 10.565 6.498 16.800 1.00 0.00 H
HETATM 178 O RES X 178 11.200 5.600 22.400 1.00 0.00 O
HETATM 179 H RES X 179 11.835 6.498 22.400 1.00 0.00 H
HETATM 180 H RES X 180 10.565 6.498 22.400 1.00 0.00 H
HETATM 181 O RES X 181 11.200 11.200 0.000 1.00 0.00 O
HETATM 182 H RES X 182 11.835 12.098 0.000 1.00 0.00 H
HETATM 183 H RES X 183 10.565 12.098 0.000 1.00 0.00 H
HETATM 184 O RES X 184 11.200 11.200 5.600 1.00 0.00 O
HETATM 185 H RES X 185 11.835 12.098 5.600 1.00 0.00 H
HETATM 186 H RES X 186 10.565 12.098 5.600 1.00 0.00 H
HETATM 187 O RES X 187 11.200 11.200 11.200 1.00 0.00 O
HETATM 188 H RES X 188 11.835 12.098 11.200 1.00 0.00 H
HETATM 189 H RES X 189 10.565 12.098 11.200 1.00 0.00 H
HETATM 190 O RES X 190 11.200 11.200 16.800 1.00 0.00 O
HETATM 191 H RES X 191 11.835 12.098 16.800 1.00 0.00 H
HETATM 192 H RES X 192 10.565 12.098 16.800 1.00 0.00 H
HETATM 193 O RES X 193 11.200 11.200 22.400 1.00 0.00 O
HETATM 194 H RES X 194 11.835 12.098 22.400 1.00 0.00 H
HETATM 195 H RES X 195 10.565 12.098 22.400 1.00 0.00 H
HETATM 196 O RES X 196 11.200 16.800 0.000 1.00 0.00 O
HETATM 197 H RES X 197 11.835 17.698 0.000 1.00 0.00 H
HETATM 198 H RES X 198 10.565 17.698 0.000 1.00 0.00 H
HETATM 199 O RES X 199 11.200 16.800 5.600 1.00 0.00 O
HETATM 200 H RES X 200 11.835 17.698 5.600 1.00 0.00 H
HETATM 201 H RES X 201 10.565 17.698 5.600 1.00 0.00 H
HETATM 202 O RES X 202 11.200 16.800 11.200 1.00 0.00 O
HETATM 203 H RES X 203 11.835 17.698 11.200 1.00 0.00 H
HETATM 204 H RES X 204 10.565 17.698 11.200 1.00 0.00 H
HETATM 205 O RES X 205 11.200 16.800 16.800 1.00 0.00 O
HETATM 206 H RES X 206 11.835 17.698 16.800 1.00 0.00 H
HETATM 207 H RES X 207 10.565 17.698 16.800 1.00 0.00 H
HETATM 208 O RES X 208 11.200 16.800 22.400 1.00 0.00 O
HETATM 209 H RES X 209 11.835 17.698 22.400 1.00 0.00 H
HETATM 210 H RES X 210 10.565 17.698 22.400 1.00 0.00 H
HETATM 211 O RES X 211 11.200 22.400 0.000 1.00 0.00 O
HETATM 212 H RES X 212 11.835 23.298 0.000 1.00 0.00 H
HETATM 213 H RES X 213 10.565 23.298 0.000 1.00 0.00 H
HETATM 214 O RES X 214 11.200 22.400 5.600 1.00 0.00 O
HETATM 215 H RES X 215 11.835 23.298 5.600 1.00 0.00 H
HETATM 216 H RES X 216 10.565 23.298 5.600 1.00 0.00 H
HETATM 217 O RES X 217 11.200 22.400 11.200 1.00 0.00 O
HETATM 218 H RES X 218 11.835 23.298 11.200 1.00 0.00 H
HETATM 219 H RES X 219 10.565 23.298 11.200 1.00 0.00 H
HETATM 220 O RES X 220 11.200 22.400 16.800 1.00 0.00 O
HETATM 221 H RES X 221 11.835 23.298 16.800 1.00 0.00 H
HETATM 222 H RES X 222 10.565 23.298 16.800 1.00 0.00 H
HETATM 223 O RES X 223 11.200 22.400 22.400 1.00 0.00 O
HETATM 224 H RES X 224 11.835 23.298 22.400 1.00 0.00 H
HETATM 225 H RES X 225 10.565 23.298 22.400 1.00 0.00 H
HETATM 226 O RES X 226 16.800 0.000 0.000 1.00 0.00 O
HETATM 227 H RES X 227 17.435 0.898 0.000 1.00 0.00 H
HETATM 228 H RES X 228 16.165 0.898 0.000 1.00 0.00 H
HETATM 229 O RES X 229 16.800 0.000 5.600 1.00 0.00 O
HETATM 230 H RES X 230 17.435 0.898 5.600 1.00 0.00 H
HETATM 231 H RES X 231 16.165 0.898 5.600 1.00 0.00 H
HETATM 232 O RES X 232 16.800 0.000 11.200 1.00 0.00 O
HETATM 233 H RES X 233 17.435 0.898 11.200 1.00 0.00 H
HETATM 234 H RES X 234 16.165 0.898 11.200 1.00 0.00 H
HETATM 235 O RES X 235 16.800 0.000 16.800 1.00 0.00 O
HETATM 236 H RES X 236 17.435 0.898 16.800 1.00 0.00 H
HETATM 237 H RES X 237 16.165 0.898 16.800 1.00 0.00 H
HETATM 238 O RES X 238 16.800 0.000 22.400 1.00 0.00 O
HETATM 239 H RES X 239 17.435 0.898 22.400 1.00 0.00 H
HETATM 240 H RES X 240 16.165 0.898 22.400 1.00 0.00 H
HETATM 241 O RES X 241 16.800 5.600 0.000 1.00 0.00 O
HETATM 242 H RES X 242 17.435 6.498 0.000 1.00 0.00 H
HETATM 243 H RES X 243 16.165 6.498 0.000 1.00 0.00 H
HETATM 244 O RES X 244 16.800 5.600 5.600 1.00 0.00 O
HETATM 245 H RES X 245 17.435 6.498 5.600 1.00 0.00 H
HETATM 246 H RES X 246 16.165 6.498 5.600 1.00 0.00 H
HETATM 247 O RES X 247 16.800 5.600 11.200 1.00 0.00 O
HETATM 248 H RES X 248 17.435 6.498 11.200 1.00 0.00 H
HETATM 249 H RES X 249 16.165 6.498 11.200 1.00 0.00 H
HETATM 250 O RES X 250 16.800 5.600 16.800 1.00 0.00 O
HETATM 251 H RES X 251 17.435 6.498 16.800 1.00 0.00 H
HETATM 252 H RES X 252 16.165 6.498 16.800 1.00 0.00 H
HETATM 253 O RES X 253 16.800 5.600 22.400 1.00 0.00 O
HETATM 254 H RES X 254 17.435 6.498 22.400 1.00 0.00 H
HETATM 255 H RES X 255 16.165 6.498 22.400 1.00 0.00 H
HETATM 256 O RES X 256 16.800 11.200 0.000 1.00 0.00 O
HETATM 257 H RES X 257 17.435 12.098 0.000 1.00 0.00 H
HETATM 258 H RES X 258 16.165 12.098 0.000 1.00 0.00 H
HETATM 259 O RES X 259 16.800 11.200 5.600 1.00 0.00 O
HETATM 260 H RES X 260 17.435 12.098 5.600 1.00 0.00 H
HETATM 261 H RES X 261 16.165 12.098 5.600 1.00 0.00 H
HETATM 262 O RES X 262 16.800 11.200 11.200 1.00 0.00 O
HETATM 263 H RES X 263 17.435 12.098 11.200 1.00 0.00 H
HETATM 264 H RES X 264 16.165 12.098 11.200 1.00 0.00 H
HETATM 265 O RES X 265 16.800 11.200 16.800 1.00 0.00 O
HETATM 266 H RES X 266 17.435 12.098 16.800 1.00 0.00 H
HETATM 267 H RES X 267 16.165 12.098 16.800 1.00 0.00 H
HETATM 268 O RES X 268 16.800 11.200 22.400 1.00 0.00 O
HETATM 269 H RES X 269 17.435 12.098 22.400 1.00 0.00 H
HETATM 270 H RES X 270 16.165 12.098 22.400 1.00 0.00 H
HETATM 271 O RES X 271 16.800 16.800 0.000 1.00 0.00 O
HETATM 272 H RES X 272 17.435 17.698 0.000 1.00 0.00 H
HETATM 273 H RES X 273 16.165 17.698 0.000 1.00 0.00 H
HETATM 274 O RES X 274 16.800 16.800 5.600 1.00 0.00 O
HETATM 275 H RES X 275 17.435 17.698 5.600 1.00 0.00 H
HETATM 276 H RES X 276 16.165 17.698 5.600 1.00 0.00 H
HETATM 277 O RES X 277 16.800 16.800 11.200 1.00 0.00 O
HETATM 278 H RES X 278 17.435 17.698 11.200 1.00 0.00 H
HETATM 279 H RES X 279 16.165 17.698 11.200 1.00 0.00 H
HETATM 280 O RES X 280 16.800 16.800 16.800 1.00 0.00 O
HETATM 281 H RES X 281 17.435 17.698 16.800 1.00 0.00 H
HETATM 282 H RES X 282 16.165 17.698 16.800 1.00 0.00 H
HETATM 283 O RES X 283 16.800 16.800 22.400 1.00 0.00 O
HETATM 284 H RES X 284 17.435 17.698 22.400 1.00 0.00 H
HETATM 285 H RES X 285 16.165 17.698 22.400 1.00 0.00 H
HETATM 286 O RES X 286 16.800 22.400 0.000 1.00 0.00 O
HETATM 287 H RES X 287 17.435 23.298 0.000 1.00 0.00 H
HETATM 288 H RES X 288 16.165 23.298 0.000 1.00 0.00 H
HETATM 289 O RES X 289 16.800 22.400 5.600 1.00 0.00 O
HETATM 290 H RES X 290 17.435 23.298 5.600 1.00 0.00 H
HETATM 291 H RES X 291 16.165 23.298 5.600 1.00 0.00 H
HETATM 292 O RES X 292 16.800 22.400 11.200 1.00 0.00 O
HETATM 293 H RES X 293 17.435 23.298 11.200 1.00 0.00 H
HETATM 294 H RES X 294 16.165 23.298 11.200 1.00 0.00 H
HETATM 295 O RES X 295 16.800 22.400 16.800 1.00 0.00 O
HETATM 296 H RES X 296 17.435 23.298 16.800 1.00 0.00 H
HETATM 297 H RES X 297 16.165 23.298 16.800 1.00 0.00 H
HETATM 298 O RES X 298 16.800 22.400 22.400 1.00 0.00 O
HETATM 299 H RES X 299 17.435 23.298 22.400 1.00 0.00 H
HETATM 300 H RES X 300 16.165 23.298 22.400 1.00 0.00 H
HETATM 301 O RES X 301 22.400 0.000 0.000 1.00 0.00 O
HETATM 302 H RES X 302 23.035 0.898 0.000 1.00 0.00 H
HETATM 303 H RES X 303 21.765 0.898 0.000 1.00 0.00 H
HETATM 304 O RES X 304 22.400 0.000 5.600 1.00 0.00 O
HETATM 305 H RES X 305 23.035 0.898 5.600 1.00 0.00 H
HETATM 306 H RES X 306 21.765 0.898 5.600 1.00 0.00 H
HETATM 307 O RES X 307 22.400 0.000 11.200 1.00 0.00 O
HETATM 308 H RES X 308 23.035 0.898 11.200 1.00 0.00 H
HETATM 309 H RES X 309 21.765 0.898 11.200 1.00 0.00 H
HETATM 310 O RES X 310 22.400 0.000 16.800 1.00 0.00 O
HETATM 311 H RES X 311 23.035 0.898 16.800 1.00 0.00 H
HETATM 312 H RES X 312 21.765 0.898 16.800 1.00 0.00 H
HETATM 313 O RES X 313 22.400 0.000 22.400 1.00 0.00 O
HETATM 314 H RES X 314 23.035 0.898 22.400 1.00 0.00 H
HETATM 315 H RES X 315 21.765 0.898 22.400 1.00 0.00 H
HETATM 316 O RES X 316 22.400 5.600 0.000 1.00 0.00 O
HETATM 317 H RES X 317 23.035 6.498 0.000 1.00 0.00 H
HETATM 318 H RES X 318 21.765 6.498 0.000 1.00 0.00 H
HETATM 319 O RES X 319 22.400 5.600 5.600 1.00 0.00 O
HETATM 320 H RES X 320 23.035 6.498 5.600 1.00 0.00 H
HETATM 321 H RES X 321 21.765 6.498 5.600 1.00 0.00 H
HETATM 322 O RES X 322 22.400 5.600 11.200 1.00 0.00 O
HETATM 323 H RES X 323 23.035 6.498 11.200 1.00 0.00 H
HETATM 324 H RES X 324 21.765 6.498 11.200 1.00 0.00 H
HETATM 325 O RES X 325 22.400 5.600 16.800 1.00 0.00 O
HETATM 326 H RES X 326 23.035 6.498 16.800 1.00 0.00 H
HETATM 327 H RES X 327 21.765 6.498 16.800 1.00 0.00 H
HETATM 328 O RES X 328 22.400 5.600 22.400 1.00 0.00 O
HETATM 329 H RES X 329 23.035 6.498 22.400 1.00 0.00 H
HETATM 330 H RES X 330 21.765 6.498 22.400 1.00 0.00 H
HETATM 331 O RES X 331 22.400 11.200 0.000 1.00 0.00 O
HETATM 332 H RES X 332 23.035 12.098 0.000 1.00 0.00 H
HETATM 333 H RES X 333 21.765 12.098 0.000 1.00 0.00 H
HETATM 334 O RES X 334 22.400 11.200 5.600 1.00 0.00 O
HETATM 335 H RES X 335 23.035 12.098 5.600 1.00 0.00 H
HETATM 336 H RES X 336 21.765 12.098 5.600 1.00 0.00 H
HETATM 337 O RES X 337 22.400 11.200 11.200 1.00 0.00 O
HETATM 338 H RES X 338 23.035 12.098 11.200 1.00 0.00 H
HETATM 339 H RES X 339 21.765 12.098 11.200 1.00 0.00 H
HETATM 340 O RES X 340 22.400 11.200 16.800 1.00 0.00 O
HETATM 341 H RES X 341 23.035 12.098 16.800 1.00 0.00 H
HETATM 342 H RES X 342 21.765 12.098 16.800 1.00 0.00 H
HETATM 343 O RES X 343 22.400 11.200 22.400 1.00 0.00 O
HETATM 344 H RES X 344 23.035 12.098 22.400 1.00 0.00 H
HETATM 345 H RES X 345 21.765 12.098 22.400 1.00 0.00 H
HETATM 346 O RES X 346 22.400 16.800 0.000 1.00 0.00 O
HETATM 347 H RES X 347 23.035 17.698 0.000 1.00 0.00 H
HETATM 348 H RES X 348 21.765 17.698 0.000 1.00 0.00 H
HETATM 349 O RES X 349 22.400 16.800 5.600 1.00 0.00 O
HETATM 350 H RES X 350 23.035 17.698 5.600 1.00 0.00 H
HETATM 351 H RES X 351 21.765 17.698 5.600 1.00 0.00 H
HETATM 352 O RES X 352 22.400 16.800 11.200 1.00 0.00 O
HETATM 353 H RES X 353 23.035 17.698 11.200 1.00 0.00 H
HETATM 354 H RES X 354 21.765 17.698 11.200 1.00 0.00 H
HETATM 355 O RES X 355 22.400 16.800 16.800 1.00 0.00 O
HETATM 356 H RES X 356 23.035 17.698 16.800 1.00 0.00 H
HETATM 357 H RES X 357 21.765 17.698 16.800 1.00 0.00 H
HETATM 358 O RES X 358 22.400 16.800 22.400 1.00 0.00 O
HETATM 359 H RES X 359 23.035 17.698 22.400 1.00 0.00 H
HETATM 360 H RES X 360 21.765 17.698 22.400 1.00 0.00 H
HETATM 361 O RES X 361 22.400 22.400 0.000 1.00 0.00 O
HETATM 362 H RES X 362 23.035 23.298 0.000 1.00 0.00 H
HETATM 363 H RES X 363 21.765 23.298 0.000 1.00 0.00 H
HETATM 364 O RES X 364 22.400 22.400 5.600 1.00 0.00 O
HETATM 365 H RES X 365 23.035 23.298 5.600 1.00 0.00 H
HETATM 366 H RES X 366 21.765 23.298 5.600 1.00 0.00 H
HETATM 367 O RES X 367 22.400 22.400 11.200 1.00 0.00 O
HETATM 368 H RES X 368 23.035 23.298 11.200 1.00 0.00 H
HETATM 369 H RES X 369 21.765 23.298 11.200 1.00 0.00 H
HETATM 370 O RES X 370 22.400 22.400 16.800 1.00 0.00 O
HETATM 371 H RES X 371 23.035 23.298 16.800 1.00 0.00 H
HETATM 372 H RES X 372 21.765 23.298 16.800 1.00 0.00 H
HETATM 373 O RES X 373 22.400 22.400 22.400 1.00 0.00 O
HETATM 374 H RES X 374 23.035 23.298 22.400 1.00 0.00 H
HETATM 375 H RES X 375 21.765 23.298 22.400 1.00 0.00 H
CONECT 1 2 3
CONECT 2 1
CONECT 3 1
CONECT 4 5 6
CONECT 5 4
CONECT 6 4
CONECT 7 8 9
CONECT 8 7
CONECT 9 7
CONECT 10 11 12
CONECT 11 10
CONECT 12 10
CONECT 13 14 15
CONECT 14 13
CONECT 15 13
CONECT 16 17 18
CONECT 17 16
CONECT 18 16
CONECT 19 20 21
CONECT 20 19
CONECT 21 19
CONECT 22 23 24
CONECT 23 22
CONECT 24 22
CONECT 25 26 27
CONECT 26 25
CONECT 27 25
CONECT 28 29 30
CONECT 29 28
CONECT 30 28
CONECT 31 32 33
CONECT 32 31
CONECT 33 31
CONECT 34 35 36
CONECT 35 34
CONECT 36 34
CONECT 37 38 39
CONECT 38 37
CONECT 39 37
CONECT 40 41 42
CONECT 41 40
CONECT 42 40
CONECT 43 44 45
CONECT 44 43
CONECT 45 43
CONECT 46 47 48
CONECT 47 46
CONECT 48 46
CONECT 49 50 51
CONECT 50 49
CONECT 51 49
CONECT 52 53 54
CONECT 53 52
CONECT 54 52
CONECT 55 56 57
CONECT 56 55
CONECT 57 55
CONECT 58 59 60
CONECT 59 58
CONECT 60 58
CONECT 61 62 63
CONECT 62 61
CONECT 63 61
CONECT 64 65 66
CONECT 65 64
CONECT 66 64
CONECT 67 68 69
CONECT 68 67
CONECT 69 67
CONECT 70 71 72
CONECT 71 70
CONECT 72 70
CONECT 73 74 75
CONECT 74 73
CONECT 75 73
CONECT 76 77 78
CONECT 77 76
CONECT 78 76
CONECT 79 80 81
CONECT 80 79
CONECT 81 79
CONECT 82 83 84
CONECT 83 82
CONECT 84 82
CONECT 85 86 87
CONECT 86 85
CONECT 87 85
CONECT 88 89 90
CONECT 89 88
CONECT 90 88
CONECT 91 92 93
CONECT 92 91
CONECT 93 91
CONECT 94 95 96
CONECT 95 94
CONECT 96 94
CONECT 97 98 99
CONECT 98 97
CONECT 99 97
CONECT 100 101 102
CONECT 101 100
CONECT 102 100
CONECT 103 104 105
CONECT 104 103
CONECT 105 103
CONECT 106 107 108
CONECT 107 106
CONECT 108 106
CONECT 109 110 111
CONECT 110 109
CONECT 111 109
CONECT 112 113 114
CONECT 113 112
CONECT 114 112
CONECT 115 116 117
CONECT 116 115
CONECT 117 115
CONECT 118 119 120
CONECT 119 118
CONECT 120 118
CONECT 121 122 123
CONECT 122 121
CONECT 123 121
CONECT 124 125 126
CONECT 125 124
CONECT 126 124
CONECT 127 128 129
CONECT 128 127
CONECT 129 127
CONECT 130 131 132
CONECT 131 130
CONECT 132 130
CONECT 133 134 135
CONECT 134 133
CONECT 135 133
CONECT 136 137 138
CONECT 137 136
CONECT 138 136
CONECT 139 140 141
CONECT 140 139
CONECT 141 139
CONECT 142 143 144
CONECT 143 142
CONECT 144 142
CONECT 145 146 147
CONECT 146 145
CONECT 147 145
CONECT 148 149 150
CONECT 149 148
CONECT 150 148
CONECT 151 152 153
CONECT 152 151
CONECT 153 151
CONECT 154 155 156
CONECT 155 154
CONECT 156 154
CONECT 157 158 159
CONECT 158 157
CONECT 159 157
CONECT 160 161 162
CONECT 161 160
CONECT 162 160
CONECT 163 164 165
CONECT 164 163
CONECT 165 163
CONECT 166 167 168
CONECT 167 166
CONECT 168 166
CONECT 169 170 171
CONECT 170 169
CONECT 171 169
CONECT 172 173 174
CONECT 173 172
CONECT 174 172
CONECT 175 176 177
CONECT 176 175
CONECT 177 175
CONECT 178 179 180
CONECT 179 178
CONECT 180 178
CONECT 181 182 183
CONECT 182 181
CONECT 183 181
CONECT 184 185 186
CONECT 185 184
CONECT 186 184
CONECT 187 188 189
CONECT 188 187
CONECT 189 187
CONECT 190 191 192
CONECT 191 190
CONECT 192 190
CONECT 193 194 195
CONECT 194 193
CONECT 195 193
CONECT 196 197 198
CONECT 197 196
CONECT 198 196
CONECT 199 200 201
CONECT 200 199
CONECT 201 199
CONECT 202 203 204
CONECT 203 202
CONECT 204 202
CONECT 205 206 207
CONECT 206 205
CONECT 207 205
CONECT 208 209 210
CONECT 209 208
CONECT 210 208
CONECT 211 212 213
CONECT 212 211
CONECT 213 211
CONECT 214 215 216
CONECT 215 214
CONECT 216 214
CONECT 217 218 219
CONECT 218 217
CONECT 219 217
CONECT 220 221 222
CONECT 221 220
CONECT 222 220
CONECT 223 224 225
CONECT 224 223
CONECT 225 223
CONECT 226 227 228
CONECT 227 226
CONECT 228 226
CONECT 229 230 231
CONECT 230 229
CONECT 231 229
CONECT 232 233 234
CONECT 233 232
CONECT 234 232
CONECT 235 236 237
CONECT 236 235
CONECT 237 235
CONECT 238 239 240
CONECT 239 238
CONECT 240 238
CONECT 241 242 243
CONECT 242 241
CONECT 243 241
CONECT 244 245 246
CONECT 245 244
CONECT 246 244
CONECT 247 248 249
CONECT 248 247
CONECT 249 247
CONECT 250 251 252
CONECT 251 250
CONECT 252 250
CONECT 253 254 255
CONECT 254 253
CONECT 255 253
CONECT 256 257 258
CONECT 257 256
CONECT 258 256
CONECT 259 260 261
CONECT 260 259
CONECT 261 259
CONECT 262 263 264
CONECT 263 262
CONECT 264 262
CONECT 265 266 267
CONECT 266 265
CONECT 267 265
CONECT 268 269 270
CONECT 269 268
CONECT 270 268
CONECT 271 272 273
CONECT 272 271
CONECT 273 271
CONECT 274 275 276
CONECT 275 274
CONECT 276 274
CONECT 277 278 279
CONECT 278 277
CONECT 279 277
CONECT 280 281 282
CONECT 281 280
CONECT 282 280
CONECT 283 284 285
CONECT 284 283
CONECT 285 283
CONECT 286 287 288
CONECT 287 286
CONECT 288 286
CONECT 289 290 291
CONECT 290 289
CONECT 291 289
CONECT 292 293 294
CONECT 293 292
CONECT 294 292
CONECT 295 296 297
CONECT 296 295
CONECT 297 295
CONECT 298 299 300
CONECT 299 298
CONECT 300 298
CONECT 301 302 303
CONECT 302 301
CONECT 303 301
CONECT 304 305 306
CONECT 305 304
CONECT 306 304
CONECT 307 308 309
CONECT 308 307
CONECT 309 307
CONECT 310 311 312
CONECT 311 310
CONECT 312 310
CONECT 313 314 315
CONECT 314 313
CONECT 315 313
CONECT 316 317 318
CONECT 317 316
CONECT 318 316
CONECT 319 320 321
CONECT 320 319
CONECT 321 319
CONECT 322 323 324
CONECT 323 322
CONECT 324 322
CONECT 325 326 327
CONECT 326 325
CONECT 327 325
CONECT 328 329 330
CONECT 329 328
CONECT 330 328
CONECT 331 332 333
CONECT 332 331
CONECT 333 331
CONECT 334 335 336
CONECT 335 334
CONECT 336 334
CONECT 337 338 339
CONECT 338 337
CONECT 339 337
CONECT 340 341 342
CONECT 341 340
CONECT 342 340
CONECT 343 344 345
CONECT 344 343
CONECT 345 343
CONECT 346 347 348
CONECT 347 346
CONECT 348 346
CONECT 349 350 351
CONECT 350 349
CONECT 351 349
CONECT 352 353 354
CONECT 353 352
CONECT 354 352
CONECT 355 356 357
CONECT 356 355
CONECT 357 355
CONECT 358 359 360
CONECT 359 358
CONECT 360 358
CONECT 361 362 363
CONECT 362 361
CONECT 363 361
CONECT 364 365 366
CONECT 365 364
CONECT 366 364
CONECT 367 368 369
CONECT 368 367
CONECT 369 367
CONECT 370 371 372
CONECT 371 370
CONECT 372 370
CONECT 373 374 375
CONECT 374 373
CONECT 375 373
END
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