0 mol 8 unq 0 iso 0 dist 6.92865 8.89145 8.02605 6.88402 8.99126 14.849 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 8.17898 9.04834 10.2656 12.0005 7.03948 16.3417 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 7.84393 7.78708 8.01051 6.31174 8.73972 12.3782 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 9.10915 7.02352 9.21892 12.9814 8.68586 15.6843 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 6.87176 7.45675 10.2272 11.9261 7.96497 17.2527 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 8.24121 8.52371 10.149 6.51655 7.04352 10.5996 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 8.24121 8.52371 10.149 15.9496 8.1114 16.9687 numMergedOcc 0
7 mol 69 unq 2 iso 0 dist 8.24121 6.8198 12.0119 6.51655 7.04352 13.0654 numMergedOcc 0
8 mol 69 unq 3 iso 0 dist 8.24121 6.8198 12.0119 15.9496 8.1114 18.2373 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 4.24428 6.30194 5.7113 5.14919 5.64598 4.65521 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 6.30194 4.24428 5.7113 5.14919 4.65521 5.64598 numMergedOcc 0
11 mol 87 unq 0 iso 0 dist 9.1329 9.33217 10.5639 11.1364 7.51358 16.6571 numMergedOcc 0
12 mol 87 unq 1 iso 0 dist 9.1329 9.33217 10.5639 16.0648 8.93296 19.3091 numMergedOcc 0
13 mol 87 unq 2 iso 0 dist 9.1329 9.03114 7.40574 11.1364 7.51358 8.32298 numMergedOcc 0
14 mol 87 unq 3 iso 0 dist 9.1329 9.03114 7.40574 16.0648 8.93296 14.2495 numMergedOcc 0
15 mol 87 unq 4 iso 0 dist 5.26938 8.91602 7.40574 7.62644 7.51358 8.32298 numMergedOcc 0
16 mol 87 unq 5 iso 0 dist 5.26938 8.91602 7.40574 10.8096 8.93296 14.2495 numMergedOcc 0
17 mol 87 unq 6 iso 0 dist 9.03114 9.1329 7.40574 11.1364 8.32298 7.51358 numMergedOcc 0
18 mol 87 unq 7 iso 0 dist 9.03114 9.33217 11.1798 11.1364 8.32298 16.6571 numMergedOcc 0
19 mol 87 unq 8 iso 0 dist 8.91602 5.26938 7.40574 7.62644 8.32298 7.51358 numMergedOcc 0
20 mol 114 unq 0 iso 0 dist 8.19156 9.54589 11.5982 5.01204 6.96442 13.2753 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 9.56867 7.44784 11.5723 7.97477 6.99777 11.695 numMergedOcc 0
22 mol 115 unq 1 iso 0 dist 9.56867 7.44784 11.5723 6.58038 9.14376 10.0603 numMergedOcc 0
23 mol 127 unq 0 iso 0 dist 8.62711 6.65963 7.30196 13.376 9.81878 11.7714 numMergedOcc 0
24 mol 132 unq 0 iso 0 dist 6.2403 8.34869 4.35917 6.58856 6.03703 7.61505 numMergedOcc 0
25 mol 132 unq 1 iso 0 dist 8.34869 6.2403 4.35917 6.58856 7.61505 6.03703 numMergedOcc 0
26 mol 132 unq 2 iso 0 dist 6.495 9.43748 4.35917 10.343 6.03703 7.61505 numMergedOcc 0
27 mol 132 unq 3 iso 0 dist 9.43748 6.495 4.35917 10.343 7.61505 6.03703 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 5.67862 7.97208 5.00817 6.30187 5.42582 8.6355 numMergedOcc 0
29 mol 134 unq 1 iso 0 dist 7.97208 5.67862 5.00817 6.30187 8.6355 5.42582 numMergedOcc 0
30 mol 140 unq 0 iso 0 dist 9.41832 5.44596 6.43459 6.92517 6.95323 7.27371 numMergedOcc 0
31 mol 140 unq 1 iso 0 dist 9.41832 9.69069 8.90548 6.92517 6.95323 12.3335 numMergedOcc 0
32 mol 140 unq 2 iso 0 dist 5.44596 9.41832 6.43459 6.92517 7.27371 6.95323 numMergedOcc 0
33 mol 140 unq 3 iso 0 dist 5.44596 9.69069 9.87462 6.92517 7.27371 12.3335 numMergedOcc 0
34 mol 175 unq 0 iso 0 dist 6.73365 9.45659 5.35493 7.92448 9.0664 11.5506 numMergedOcc 0
35 mol 175 unq 1 iso 0 dist 6.73365 9.44856 9.63234 7.92448 9.0664 14.78 numMergedOcc 0
36 mol 204 unq 0 iso 0 dist 7.7292 6.27396 12.5143 11.695 5.90931 16.9866 numMergedOcc 0
37 mol 219 unq 0 iso 0 dist 8.09769 7.24832 7.02195 7.42613 4.87541 10.105 numMergedOcc 0
38 mol 236 unq 0 iso 0 dist 9.97357 6.36941 7.28249 11.4732 7.17676 5.34718 numMergedOcc 0
39 mol 236 unq 1 iso 0 dist 9.97357 6.36941 7.28249 14.1057 6.68463 10.5713 numMergedOcc 0
40 mol 236 unq 2 iso 0 dist 6.36941 9.97357 7.28249 11.4732 5.34718 7.17676 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 8.89538 7.98022 13.0839 13.2905 6.77463 14.1514 numMergedOcc 0
42 mol 238 unq 1 iso 0 dist 8.89538 7.98022 13.0839 10.4286 7.2766 16.5748 numMergedOcc 0
43 mol 240 unq 0 iso 0 dist 6.01168 7.72928 4.28414 6.40204 6.15305 7.03489 numMergedOcc 0
44 mol 240 unq 1 iso 0 dist 6.01168 7.72928 4.28414 11.4113 8.0951 12.1358 numMergedOcc 0
45 mol 240 unq 2 iso 0 dist 7.72928 6.01168 4.28414 6.40204 7.03489 6.15305 numMergedOcc 0
46 mol 240 unq 3 iso 0 dist 6.83069 9.30995 4.28414 10.6805 6.15305 7.03489 numMergedOcc 0
47 mol 240 unq 4 iso 0 dist 6.83069 9.30995 4.28414 5.79056 8.0951 12.1358 numMergedOcc 0
48 mol 240 unq 5 iso 0 dist 9.30995 6.83069 4.28414 10.6805 7.03489 6.15305 numMergedOcc 0
49 mol 258 unq 0 iso 0 dist 9.67877 8.81059 17.2075 13.6436 6.49982 21.9033 numMergedOcc 0
50 mol 258 unq 1 iso 0 dist 9.67877 9.12006 18.4031 13.6436 6.49982 22.7061 numMergedOcc 0
51 mol 272 unq 0 iso 0 dist 4.78812 6.62923 5.40809 6.99865 6.73206 9.09992 numMergedOcc 0
52 mol 272 unq 1 iso 0 dist 6.62923 4.78812 5.40809 6.99865 9.09992 6.73206 numMergedOcc 0
53 mol 272 unq 2 iso 0 dist 6.62923 4.78812 5.40809 10.3424 6.16449 10.1966 numMergedOcc 0
54 mol 276 unq 0 iso 0 dist 5.30976 8.28881 8.56707 10.4141 8.76347 12.4317 numMergedOcc 0
55 mol 282 unq 0 iso 0 dist 9.51581 6.84554 4.66602 10.8603 7.32347 10.4802 numMergedOcc 0
56 mol 284 unq 0 iso 0 dist 9.41428 7.2795 5.87439 5.90634 8.41504 10.0956 numMergedOcc 0
57 mol 284 unq 1 iso 0 dist 7.32482 7.35866 5.87439 9.91995 8.41504 10.0956 numMergedOcc 0
58 mol 284 unq 2 iso 0 dist 8.08993 7.34344 13.5089 9.65436 8.41504 14.711 numMergedOcc 0
59 mol 284 unq 3 iso 0 dist 7.34344 8.08993 13.5089 5.83318 4.86729 11.1846 numMergedOcc 0
