0 mol 64 unq 0 iso 0 dist 9.10915 6.90646 8.66921 12.9814 8.68586 11.75 numMergedOcc 0
1 mol 64 unq 0 iso 1 dist 8.66921 6.90646 9.10915 11.75 8.68586 12.9814 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 9.10915 7.89535 5.54343 12.9814 8.68586 5.68492 numMergedOcc 0
3 mol 64 unq 1 iso 1 dist 5.54343 7.89535 9.10915 5.68492 8.68586 12.9814 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 8.66921 6.36389 5.54343 11.75 8.68586 5.68492 numMergedOcc 0
5 mol 64 unq 1 iso 1 dist 5.54343 6.36389 8.66921 5.68492 8.68586 11.75 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 6.87176 7.08944 5.57389 11.9261 7.96497 7.01859 numMergedOcc 0
7 mol 68 unq 0 iso 1 dist 5.57389 7.08944 6.87176 7.01859 7.96497 11.9261 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 5.79954 8.4863 7.01889 13.1044 8.70133 15.124 numMergedOcc 0
9 mol 73 unq 0 iso 1 dist 7.01889 8.4863 5.79954 15.124 8.70133 13.1044 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 4.83274 10.5047 7.89214 13.8036 9.49449 6.63393 numMergedOcc 0
11 mol 76 unq 0 iso 1 dist 7.89214 10.5047 4.83274 6.63393 9.49449 13.8036 numMergedOcc 0
12 mol 87 unq 0 iso 0 dist 9.1329 5.38943 5.26938 11.1364 7.51358 7.62644 numMergedOcc 0
13 mol 87 unq 0 iso 1 dist 5.26938 5.38943 9.1329 7.62644 7.51358 11.1364 numMergedOcc 0
14 mol 87 unq 1 iso 0 dist 9.1329 5.38943 5.26938 16.0648 8.93296 10.8096 numMergedOcc 0
15 mol 87 unq 1 iso 1 dist 5.26938 5.38943 9.1329 10.8096 8.93296 16.0648 numMergedOcc 0
16 mol 87 unq 2 iso 0 dist 9.1329 11.9011 6.8014 11.1364 7.51358 5.5768 numMergedOcc 0
17 mol 87 unq 2 iso 1 dist 6.8014 11.9011 9.1329 5.5768 7.51358 11.1364 numMergedOcc 0
18 mol 87 unq 3 iso 0 dist 9.1329 11.9011 6.8014 16.0648 8.93296 4.56692 numMergedOcc 0
19 mol 87 unq 3 iso 1 dist 6.8014 11.9011 9.1329 4.56692 8.93296 16.0648 numMergedOcc 0
20 mol 87 unq 2 iso 0 dist 5.26938 6.69898 6.8014 7.62644 7.51358 5.5768 numMergedOcc 0
21 mol 87 unq 2 iso 1 dist 6.8014 6.69898 5.26938 5.5768 7.51358 7.62644 numMergedOcc 0
22 mol 87 unq 3 iso 0 dist 5.26938 6.69898 6.8014 10.8096 8.93296 4.56692 numMergedOcc 0
23 mol 87 unq 3 iso 1 dist 6.8014 6.69898 5.26938 4.56692 8.93296 10.8096 numMergedOcc 0
24 mol 87 unq 4 iso 0 dist 9.03114 5.38943 8.91602 11.1364 8.32298 7.62644 numMergedOcc 0
25 mol 87 unq 4 iso 1 dist 8.91602 5.38943 9.03114 7.62644 8.32298 11.1364 numMergedOcc 0
26 mol 127 unq 0 iso 0 dist 7.73139 8.63406 6.66607 11.54 9.81878 6.09683 numMergedOcc 0
27 mol 127 unq 0 iso 1 dist 6.66607 8.63406 7.73139 6.09683 9.81878 11.54 numMergedOcc 0
28 mol 127 unq 1 iso 0 dist 7.73139 6.87199 8.62711 11.54 9.81878 13.376 numMergedOcc 0
29 mol 127 unq 1 iso 1 dist 8.62711 6.87199 7.73139 13.376 9.81878 11.54 numMergedOcc 0
30 mol 127 unq 1 iso 0 dist 6.66607 12.663 8.62711 6.09683 9.81878 13.376 numMergedOcc 0
31 mol 127 unq 1 iso 1 dist 8.62711 12.663 6.66607 13.376 9.81878 6.09683 numMergedOcc 0
32 mol 132 unq 0 iso 0 dist 6.2403 11.8902 6.495 6.58856 6.03703 10.343 numMergedOcc 0
33 mol 132 unq 0 iso 1 dist 6.495 11.8902 6.2403 10.343 6.03703 6.58856 numMergedOcc 0
34 mol 132 unq 1 iso 0 dist 8.34869 11.8902 9.43748 6.58856 7.61505 10.343 numMergedOcc 0
35 mol 132 unq 1 iso 1 dist 9.43748 11.8902 8.34869 10.343 7.61505 6.58856 numMergedOcc 0
36 mol 143 unq 0 iso 0 dist 9.18691 7.57667 8.90592 9.53126 7.7056 4.85796 numMergedOcc 0
37 mol 143 unq 0 iso 1 dist 8.90592 7.57667 9.18691 4.85796 7.7056 9.53126 numMergedOcc 0
38 mol 214 unq 0 iso 0 dist 9.40003 17.6476 8.68385 13.377 6.97182 8.07861 numMergedOcc 0
39 mol 214 unq 0 iso 1 dist 8.68385 17.6476 9.40003 8.07861 6.97182 13.377 numMergedOcc 0
40 mol 214 unq 1 iso 0 dist 9.40003 17.6476 8.68385 9.36638 6.1175 10.2576 numMergedOcc 0
41 mol 214 unq 1 iso 1 dist 8.68385 17.6476 9.40003 10.2576 6.1175 9.36638 numMergedOcc 0
42 mol 219 unq 0 iso 0 dist 9.68515 10.4254 8.09769 6.50565 4.87541 7.42613 numMergedOcc 0
43 mol 219 unq 0 iso 1 dist 8.09769 10.4254 9.68515 7.42613 4.87541 6.50565 numMergedOcc 0
44 mol 219 unq 1 iso 0 dist 9.68515 11.7281 6.75833 6.50565 4.87541 5.58412 numMergedOcc 0
45 mol 219 unq 1 iso 1 dist 6.75833 11.7281 9.68515 5.58412 4.87541 6.50565 numMergedOcc 0
46 mol 219 unq 1 iso 0 dist 8.09769 10.676 6.75833 7.42613 4.87541 5.58412 numMergedOcc 0
47 mol 219 unq 1 iso 1 dist 6.75833 10.676 8.09769 5.58412 4.87541 7.42613 numMergedOcc 0
48 mol 240 unq 0 iso 0 dist 6.01168 12.4409 6.83069 6.40204 6.15305 10.6805 numMergedOcc 0
49 mol 240 unq 0 iso 1 dist 6.83069 12.4409 6.01168 10.6805 6.15305 6.40204 numMergedOcc 0
50 mol 240 unq 1 iso 0 dist 6.01168 12.4409 6.83069 11.4113 8.0951 5.79056 numMergedOcc 0
51 mol 240 unq 1 iso 1 dist 6.83069 12.4409 6.01168 5.79056 8.0951 11.4113 numMergedOcc 0
52 mol 240 unq 2 iso 0 dist 7.72928 12.4409 9.30995 6.40204 7.03489 10.6805 numMergedOcc 0
53 mol 240 unq 2 iso 1 dist 9.30995 12.4409 7.72928 10.6805 7.03489 6.40204 numMergedOcc 0
54 mol 253 unq 0 iso 0 dist 8.53729 5.50591 8.07341 15.6651 7.19465 14.0411 numMergedOcc 0
55 mol 253 unq 0 iso 1 dist 8.07341 5.50591 8.53729 14.0411 7.19465 15.6651 numMergedOcc 0
56 mol 272 unq 0 iso 0 dist 8.82094 11.3373 9.80332 10.6582 7.67853 5.96784 numMergedOcc 0
57 mol 272 unq 0 iso 1 dist 9.80332 11.3373 8.82094 5.96784 7.67853 10.6582 numMergedOcc 0
58 mol 284 unq 0 iso 0 dist 9.41428 8.53089 7.32482 5.90634 8.41504 9.91995 numMergedOcc 0
59 mol 284 unq 0 iso 1 dist 7.32482 8.53089 9.41428 9.91995 8.41504 5.90634 numMergedOcc 0
60 mol 284 unq 1 iso 0 dist 9.41428 13.5143 8.08993 5.90634 8.41504 9.65436 numMergedOcc 0
61 mol 284 unq 1 iso 1 dist 8.08993 13.5143 9.41428 9.65436 8.41504 5.90634 numMergedOcc 0
62 mol 284 unq 1 iso 0 dist 7.32482 9.79667 8.08993 9.91995 8.41504 9.65436 numMergedOcc 0
63 mol 284 unq 1 iso 1 dist 8.08993 9.79667 7.32482 9.65436 8.41504 9.91995 numMergedOcc 0
