Datasets:

PDBbind_test / 6a73 /6a73_ligand.sdf
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Add batch 2
74032e7 verified
6a73_ligand
-I-interpret-
54 54 0 0 0 0 0 0 0 0999 V2000
6.4510 -19.8910 -77.7540 C 0 0 0 0 0
5.6280 -18.7110 -78.3210 C 0 0 0 0 0
6.3440 -18.0290 -79.4980 C 0 0 0 0 0
6.6220 -19.0100 -80.6460 C 0 0 0 0 0
7.6510 -19.9980 -80.0970 C 0 0 0 0 0
7.1510 -20.7490 -78.8300 C 0 0 0 0 0
5.5350 -20.6840 -77.0170 O 0 0 0 0 0
5.8630 -21.3450 -75.5330 P 0 0 0 0 0
6.1200 -20.2640 -74.5090 O 0 0 0 0 0
7.0720 -22.2430 -75.6310 O 0 0 0 0 0
4.6880 -22.1750 -75.0610 O 0 0 0 0 0
5.4000 -17.7760 -77.2930 O 0 0 0 0 0
3.8550 -17.3740 -76.8590 P 0 0 0 0 0
2.8600 -18.1050 -77.7310 O 0 0 0 0 0
3.6090 -17.7410 -75.4110 O 0 0 0 0 0
3.6650 -15.8860 -77.0420 O 0 0 0 0 0
5.6070 -16.9380 -79.9630 O 0 0 0 0 0
6.4680 -15.5400 -79.9160 P 0 0 0 0 0
5.8760 -14.5290 -80.8690 O 0 0 0 0 0
7.8920 -15.8420 -80.3230 O 0 0 0 0 0
6.4490 -15.0210 -78.4960 O 0 0 0 0 0
7.1940 -18.3480 -81.7270 O 0 0 0 0 0
6.5400 -18.7920 -83.1660 P 0 0 0 0 0
6.7300 -17.6840 -84.1710 O 0 0 0 0 0
5.0610 -19.0510 -82.9870 O 0 0 0 0 0
7.2140 -20.0610 -83.6370 O 0 0 0 0 0
8.1310 -20.9970 -80.9710 O 0 0 0 0 0
9.6870 -21.5320 -80.7100 P 0 0 0 0 0
10.6320 -20.7610 -81.6010 O 0 0 0 0 0
10.1040 -21.3050 -79.2740 O 0 0 0 0 0
9.8230 -23.0110 -81.0010 O 0 0 0 0 0
6.2150 -21.7630 -79.1780 O 0 0 0 0 0
6.5060 -23.3990 -79.1110 P 0 0 0 0 0
7.2720 -23.7740 -77.8650 O 0 0 0 0 0
7.3030 -23.8130 -80.3240 O 0 0 0 0 0
5.2010 -24.1660 -79.1320 O 0 0 0 0 0
7.2637 -19.4965 -77.1441 H 0 0 0 0 0
4.6816 -19.1010 -78.6957 H 0 0 0 0 0
7.3045 -17.6729 -79.1256 H 0 0 0 0 0
5.7014 -19.4874 -80.9818 H 0 0 0 0 0
8.4741 -19.3137 -79.8910 H 0 0 0 0 0
8.0786 -21.1320 -78.4045 H 0 0 0 0 0
5.3504 -19.6935 -74.4476 H 0 0 0 0 0
3.9099 -21.6168 -74.9936 H 0 0 0 0 0
2.9742 -19.0517 -77.6204 H 0 0 0 0 0
3.7301 -18.6864 -75.2967 H 0 0 0 0 0
8.2675 -16.4847 -79.7167 H 0 0 0 0 0
6.8295 -15.6799 -77.9106 H 0 0 0 0 0
4.9358 -19.7561 -82.3476 H 0 0 0 0 0
7.0820 -20.7531 -82.9850 H 0 0 0 0 0
9.5141 -21.7879 -78.6905 H 0 0 0 0 0
9.2233 -23.5036 -80.4359 H 0 0 0 0 0
6.7687 -23.5125 -77.0905 H 0 0 0 0 0
4.6741 -23.9198 -78.3682 H 0 0 0 0 0
1 2 1 0 0 0
1 6 1 0 0 0
1 7 1 0 0 0
2 3 1 0 0 0
2 12 1 0 0 0
3 4 1 0 0 0
3 17 1 0 0 0
4 5 1 0 0 0
4 22 1 0 0 0
5 6 1 0 0 0
5 27 1 0 0 0
6 32 1 0 0 0
7 8 1 0 0 0
8 9 1 0 0 0
8 10 2 0 0 0
8 11 1 0 0 0
12 13 1 0 0 0
13 14 1 0 0 0
13 15 1 0 0 0
13 16 2 0 0 0
17 18 1 0 0 0
18 19 2 0 0 0
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18 21 1 0 0 0
22 23 1 0 0 0
23 24 2 0 0 0
23 25 1 0 0 0
23 26 1 0 0 0
27 28 1 0 0 0
28 29 2 0 0 0
28 30 1 0 0 0
28 31 1 0 0 0
32 33 1 0 0 0
33 34 1 0 0 0
33 35 2 0 0 0
33 36 1 0 0 0
1 37 1 0 0 0
2 38 1 0 0 0
3 39 1 0 0 0
4 40 1 0 0 0
5 41 1 0 0 0
6 42 1 0 0 0
9 43 1 0 0 0
11 44 1 0 0 0
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15 46 1 0 0 0
20 47 1 0 0 0
21 48 1 0 0 0
25 49 1 0 0 0
26 50 1 0 0 0
30 51 1 0 0 0
31 52 1 0 0 0
34 53 1 0 0 0
36 54 1 0 0 0
M END
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