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n-yoshikawa/molA.sdf

Created February 21, 2019 12:48
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SDF files for Open Babel issue.
Raw
molA.sdf
0Q1_4GPJ_A
OpenBabel02211917303D
Protoss
42 45 0 0 0 0 0 0 0 0999 V2000
32.9220 14.8880 -1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
32.5830 16.1240 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0
33.5890 16.9660 0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0
32.9790 18.0380 0.7860 N 0 0 0 0 0 0 0 0 0 0 0 0
31.6660 17.8070 0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0
30.7590 18.8380 1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0
31.3610 16.6140 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0
30.0990 16.0390 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
29.7400 15.6080 -1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0
28.4470 15.0830 -1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0
29.1710 16.0120 0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0
27.9020 15.4730 0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0
27.5500 15.0100 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0
26.2130 14.4090 -0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0
26.4610 13.9200 -2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0
27.8070 14.5240 -2.7710 C 0 0 2 0 0 0 0 0 0 0 0 0
28.6250 13.5230 -3.3310 O 0 0 0 0 0 0 0 0 0 0 0 0
27.7020 15.6030 -3.8520 C 0 0 0 0 0 0 0 0 0 0 0 0
26.9400 16.7040 -3.5500 C 0 0 0 0 0 0 0 0 0 0 0 0
26.7330 17.7270 -4.4780 C 0 0 0 0 0 0 0 0 0 0 0 0
27.3270 17.6360 -5.7210 C 0 0 0 0 0 0 0 0 0 0 0 0
28.0870 16.5200 -6.0300 C 0 0 0 0 0 0 0 0 0 0 0 0
28.2710 15.4960 -5.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
32.0851 14.3757 -1.2697 H 0 0 0 0 0 0 0 0 0 0 0 0
33.3545 15.1559 -1.9379 H 0 0 0 0 0 0 0 0 0 0 0 0
33.5509 14.3141 -0.5525 H 0 0 0 0 0 0 0 0 0 0 0 0
29.8063 18.5402 1.4481 H 0 0 0 0 0 0 0 0 0 0 0 0
31.0237 18.9141 2.4703 H 0 0 0 0 0 0 0 0 0 0 0 0
30.8591 19.7280 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0
30.3787 15.6653 -2.1373 H 0 0 0 0 0 0 0 0 0 0 0 0
29.4296 16.3946 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0
27.2653 15.4219 1.5394 H 0 0 0 0 0 0 0 0 0 0 0 0
25.4940 15.1040 -0.9032 H 0 0 0 0 0 0 0 0 0 0 0 0
25.9522 13.6580 -0.2984 H 0 0 0 0 0 0 0 0 0 0 0 0
25.7150 14.2045 -2.8642 H 0 0 0 0 0 0 0 0 0 0 0 0
26.5211 12.9218 -2.2546 H 0 0 0 0 0 0 0 0 0 0 0 0
28.1243 12.6577 -3.3542 H 0 0 0 0 0 0 0 0 0 0 0 0
26.5231 16.7753 -2.6439 H 0 0 0 0 0 0 0 0 0 0 0 0
26.1624 18.5146 -4.2453 H 0 0 0 0 0 0 0 0 0 0 0 0
27.2097 18.3685 -6.3916 H 0 0 0 0 0 0 0 0 0 0 0 0
28.5101 16.4467 -6.9331 H 0 0 0 0 0 0 0 0 0 0 0 0
28.8130 14.6902 -5.3375 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 24 1 0 0 0 0
1 25 1 0 0 0 0
1 26 1 0 0 0 0
2 3 1 0 0 0 0
2 7 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
6 27 1 0 0 0 0
6 28 1 0 0 0 0
6 29 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
8 11 1 0 0 0 0
9 10 1 0 0 0 0
9 30 1 0 0 0 0
10 13 2 0 0 0 0
10 16 1 0 0 0 0
11 12 2 0 0 0 0
11 31 1 0 0 0 0
12 13 1 0 0 0 0
12 32 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 33 1 0 0 0 0
14 34 1 0 0 0 0
15 16 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
16 17 1 6 0 0 0
16 18 1 0 0 0 0
17 37 1 0 0 0 0
18 19 2 0 0 0 0
18 23 1 0 0 0 0
19 20 1 0 0 0 0
19 38 1 0 0 0 0
20 21 2 0 0 0 0
20 39 1 0 0 0 0
21 22 1 0 0 0 0
21 40 1 0 0 0 0
22 23 2 0 0 0 0
22 41 1 0 0 0 0
23 42 1 0 0 0 0
M END
$$$$
Raw
molB.sdf
0Q1_4GPJ_A
OpenBabel02211917303D
42 45 0 0 1 0 0 0 0 0999 V2000
2.5410 0.5050 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0860 0.2710 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6860 -1.0210 0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7380 -1.0360 -0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1180 0.2090 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5660 0.5090 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0050 1.0740 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0082 2.5939 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1535 3.2479 -0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1893 4.6725 -0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0321 5.3280 0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1442 4.7055 0.2041 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1851 3.3042 0.2179 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3518 7.0654 -0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1539 6.9080 -0.3581 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2999 5.4029 -0.3824 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.2227 5.0476 0.6367 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7435 5.0774 -1.7993 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2664 3.7946 -2.1240 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3631 3.4109 -3.4716 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2401 4.3009 -4.4120 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0218 5.6452 -4.0826 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6247 5.9878 -2.7672 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0534 -0.4343 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8115 1.0467 0.8812 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8146 1.0725 -0.8659 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1200 -0.4064 0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8080 1.0638 -0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8178 1.0866 0.8608 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0251 2.7157 -0.3362 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0131 5.2436 0.3472 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0738 2.8049 0.3789 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1549 7.5638 -0.8507 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0671 7.6445 0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4350 7.3471 -1.2925 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7732 7.4041 0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8582 5.2909 1.5021 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5718 3.1522 -1.3763 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5317 2.4225 -3.7156 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3035 4.0166 -5.4020 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1496 6.3814 -4.7945 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2495 6.9267 -2.5606 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 24 1 0 0 0 0
1 25 1 0 0 0 0
1 26 1 0 0 0 0
2 3 1 0 0 0 0
2 7 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
6 27 1 0 0 0 0
6 28 1 0 0 0 0
6 29 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
8 13 2 0 0 0 0
9 10 2 0 0 0 0
9 30 1 0 0 0 0
10 11 1 0 0 0 0
10 16 1 0 0 0 0
11 12 2 0 0 0 0
11 14 1 0 0 0 0
12 13 1 0 0 0 0
12 31 1 0 0 0 0
13 32 1 0 0 0 0
14 15 1 0 0 0 0
14 33 1 0 0 0 0
14 34 1 0 0 0 0
15 16 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
16 18 1 0 0 0 0
16 17 1 1 0 0 0
17 37 1 0 0 0 0
18 19 1 0 0 0 0
18 23 2 0 0 0 0
19 20 2 0 0 0 0
19 38 1 0 0 0 0
20 21 1 0 0 0 0
20 39 1 0 0 0 0
21 22 2 0 0 0 0
21 40 1 0 0 0 0
22 23 1 0 0 0 0
22 41 1 0 0 0 0
23 42 1 0 0 0 0
M END
$$$$
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