0 mol 64 unq 0 iso 0 dist 9.10915 7.02352 9.21892 6.90646 8.66921 12.192 numMergedOcc 0
1 mol 64 unq 1 iso 0 dist 9.10915 7.02352 9.21892 7.89535 5.54343 11.6449 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 6.99398 7.96 4.52996 8.8254 8.64208 10.5313 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 8.64208 7.9572 7.99329 8.8254 6.99398 13.0148 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 6.87176 7.45675 10.2272 7.08944 5.57389 13.48 numMergedOcc 0
5 mol 75 unq 0 iso 0 dist 7.118 8.24814 5.64643 7.24623 7.16583 11.6681 numMergedOcc 0
6 mol 87 unq 0 iso 0 dist 9.1329 9.33217 10.5639 5.38943 5.26938 11.099 numMergedOcc 0
7 mol 87 unq 1 iso 0 dist 9.1329 9.33217 10.5639 11.9011 6.8014 16.6393 numMergedOcc 0
8 mol 87 unq 2 iso 0 dist 9.1329 9.03114 7.40574 5.38943 5.26938 8.91602 numMergedOcc 0
9 mol 87 unq 3 iso 0 dist 9.1329 9.03114 7.40574 11.9011 6.8014 11.835 numMergedOcc 0
10 mol 87 unq 4 iso 0 dist 5.26938 8.91602 7.40574 5.38943 9.1329 9.03114 numMergedOcc 0
11 mol 87 unq 5 iso 0 dist 5.26938 8.91602 7.40574 6.69898 6.8014 11.835 numMergedOcc 0
12 mol 87 unq 6 iso 0 dist 9.03114 9.1329 7.40574 5.38943 8.91602 5.26938 numMergedOcc 0
13 mol 87 unq 7 iso 0 dist 9.03114 9.33217 11.1798 5.38943 8.91602 11.099 numMergedOcc 0
14 mol 87 unq 8 iso 0 dist 8.91602 5.26938 7.40574 5.38943 9.03114 9.1329 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 8.93552 8.35604 10.2788 9.38788 6.09472 12.9952 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 8.93552 8.35604 10.2788 7.12394 6.20658 7.83568 numMergedOcc 0
17 mol 115 unq 2 iso 0 dist 8.35604 8.93552 10.2788 7.12394 7.83568 6.20658 numMergedOcc 0
18 mol 115 unq 3 iso 0 dist 6.20658 7.83568 10.2788 5.54133 6.09472 12.9952 numMergedOcc 0
19 mol 115 unq 4 iso 0 dist 6.20658 7.83568 10.2788 7.12394 8.93552 8.35604 numMergedOcc 0
20 mol 115 unq 5 iso 0 dist 7.83568 6.20658 10.2788 7.12394 8.35604 8.93552 numMergedOcc 0
21 mol 127 unq 0 iso 0 dist 8.62711 6.65963 7.30196 6.87199 7.73139 11.1225 numMergedOcc 0
22 mol 127 unq 1 iso 0 dist 8.62711 6.65963 7.30196 12.663 6.66607 12.2522 numMergedOcc 0
23 mol 132 unq 0 iso 0 dist 6.2403 8.34869 4.35917 11.8902 6.495 9.43748 numMergedOcc 0
24 mol 132 unq 1 iso 0 dist 8.34869 6.2403 4.35917 11.8902 9.43748 6.495 numMergedOcc 0
25 mol 132 unq 2 iso 0 dist 6.495 9.43748 4.35917 11.8902 6.2403 8.34869 numMergedOcc 0
26 mol 132 unq 3 iso 0 dist 9.43748 6.495 4.35917 11.8902 8.34869 6.2403 numMergedOcc 0
27 mol 162 unq 0 iso 0 dist 8.06091 9.89142 10.4637 10.9385 8.15223 10.282 numMergedOcc 0
28 mol 219 unq 0 iso 0 dist 8.09769 7.24832 7.02195 10.4254 9.68515 12.6018 numMergedOcc 0
29 mol 219 unq 1 iso 0 dist 8.09769 7.24832 7.02195 10.676 6.75833 13.0653 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 7.30244 7.29796 6.89336 6.99846 9.58343 12.0159 numMergedOcc 0
31 mol 230 unq 0 iso 0 dist 9.12305 9.30906 5.46301 5.96129 8.33847 10.6587 numMergedOcc 0
32 mol 240 unq 0 iso 0 dist 6.01168 7.72928 4.28414 12.4409 6.83069 9.30995 numMergedOcc 0
33 mol 240 unq 1 iso 0 dist 7.72928 6.01168 4.28414 12.4409 9.30995 6.83069 numMergedOcc 0
34 mol 240 unq 2 iso 0 dist 6.83069 9.30995 4.28414 12.4409 6.01168 7.72928 numMergedOcc 0
35 mol 240 unq 3 iso 0 dist 9.30995 6.83069 4.28414 12.4409 7.72928 6.01168 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 7.9357 5.79537 5.30627 7.64421 8.81059 9.12006 numMergedOcc 0
37 mol 258 unq 1 iso 0 dist 8.81059 9.67877 17.2075 7.64421 7.9357 17.1491 numMergedOcc 0
38 mol 258 unq 2 iso 0 dist 8.81059 9.12006 5.30627 7.64421 7.9357 5.79537 numMergedOcc 0
39 mol 258 unq 3 iso 0 dist 5.79537 7.9357 5.30627 9.22956 9.47519 11.9494 numMergedOcc 0
40 mol 258 unq 4 iso 0 dist 5.79537 7.9357 5.30627 7.64421 9.12006 8.81059 numMergedOcc 0
41 mol 258 unq 5 iso 0 dist 9.12006 9.67877 18.4031 16.5108 9.47519 26.1702 numMergedOcc 0
42 mol 258 unq 6 iso 0 dist 9.12006 9.67877 18.4031 7.64421 5.79537 17.1491 numMergedOcc 0
43 mol 258 unq 7 iso 0 dist 9.12006 8.81059 5.30627 16.5108 9.47519 11.9494 numMergedOcc 0
44 mol 258 unq 8 iso 0 dist 9.12006 8.81059 5.30627 7.64421 5.79537 7.9357 numMergedOcc 0
45 mol 274 unq 0 iso 0 dist 8.3291 9.79674 9.12834 10.1431 6.21831 15.0027 numMergedOcc 0
46 mol 284 unq 0 iso 0 dist 7.2795 9.41428 5.87439 8.53089 7.35866 7.32482 numMergedOcc 0
47 mol 284 unq 1 iso 0 dist 9.41428 7.2795 5.87439 8.53089 7.32482 7.35866 numMergedOcc 0
48 mol 284 unq 2 iso 0 dist 9.41428 7.2795 5.87439 13.5143 8.08993 13.262 numMergedOcc 0
49 mol 284 unq 3 iso 0 dist 7.35866 7.32482 5.87439 8.53089 7.2795 9.41428 numMergedOcc 0
50 mol 284 unq 4 iso 0 dist 7.32482 7.35866 5.87439 8.53089 9.41428 7.2795 numMergedOcc 0
51 mol 284 unq 5 iso 0 dist 7.32482 7.35866 5.87439 9.79667 8.08993 13.262 numMergedOcc 0
52 mol 284 unq 6 iso 0 dist 8.08993 7.34344 13.5089 13.5143 9.41428 17.1801 numMergedOcc 0
53 mol 284 unq 7 iso 0 dist 8.08993 7.34344 13.5089 9.79667 7.32482 10.9927 numMergedOcc 0
