0 mol 10 unq 0 iso 0 dist 5.59965 6.18431 3.92592 9.76721 7.8329 9.7713 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 5.59965 9.07726 5.53712 9.76721 7.8329 12.978 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 7.98326 6.859 9.74251 6.76736 9.81983 9.89425 numMergedOcc 0
3 mol 12 unq 0 iso 0 dist 7.92714 9.90835 9.7731 6.55567 9.8142 15.7243 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 6.03257 6.23015 5.20798 11.6414 6.31608 10.2502 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 5.95834 9.85784 11.6859 4.11146 5.9372 9.58192 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 5.95834 9.85784 11.6859 7.83331 8.17583 14.51 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 5.95834 9.87996 9.80106 4.11146 5.9372 9.69854 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 5.95834 9.87996 9.80106 7.83331 8.17583 14.5025 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 4.2121 9.85784 11.076 6.22954 7.03544 15.8473 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 4.2121 9.85784 11.076 4.11146 6.93597 9.58192 numMergedOcc 0
11 mol 24 unq 6 iso 0 dist 4.2121 9.87996 9.68535 6.22954 7.03544 15.7273 numMergedOcc 0
12 mol 24 unq 7 iso 0 dist 4.2121 9.87996 9.68535 4.11146 6.93597 9.69854 numMergedOcc 0
13 mol 24 unq 8 iso 0 dist 6.72323 9.85784 14.6305 12.2839 7.85986 21.7392 numMergedOcc 0
14 mol 24 unq 9 iso 0 dist 6.72323 9.85784 14.6305 6.22954 4.30252 15.8473 numMergedOcc 0
15 mol 24 unq 10 iso 0 dist 6.72323 9.87996 14.3224 12.2839 7.85986 21.4183 numMergedOcc 0
16 mol 24 unq 11 iso 0 dist 6.72323 9.87996 14.3224 6.22954 4.30252 15.7273 numMergedOcc 0
17 mol 26 unq 0 iso 0 dist 7.35861 9.96912 6.64374 12.335 9.82851 13.5854 numMergedOcc 0
18 mol 26 unq 1 iso 0 dist 6.56527 6.81793 4.76998 12.5394 9.11311 8.97754 numMergedOcc 0
19 mol 46 unq 0 iso 0 dist 8.0543 5.96231 10.324 6.64571 9.42876 11.8822 numMergedOcc 0
20 mol 48 unq 0 iso 0 dist 8.29857 6.03404 9.02536 6.17529 6.28603 10.7691 numMergedOcc 0
21 mol 48 unq 1 iso 0 dist 8.29857 6.03404 9.02536 9.78584 8.80303 14.4376 numMergedOcc 0
22 mol 48 unq 2 iso 0 dist 8.29857 6.03404 9.02536 11.505 7.11491 12.3189 numMergedOcc 0
23 mol 48 unq 3 iso 0 dist 8.19993 6.07052 9.12073 6.30002 5.73454 10.7539 numMergedOcc 0
24 mol 48 unq 4 iso 0 dist 8.19993 6.07052 9.12073 9.72383 8.2012 14.3033 numMergedOcc 0
25 mol 48 unq 5 iso 0 dist 8.19993 6.07052 9.12073 11.5388 7.1829 12.2099 numMergedOcc 0
26 mol 79 unq 0 iso 0 dist 9.78384 9.77084 3.99035 5.84075 6.86517 9.04293 numMergedOcc 0
27 mol 79 unq 1 iso 0 dist 9.78384 6.5551 4.53016 5.84075 6.86517 4.78333 numMergedOcc 0
28 mol 79 unq 2 iso 0 dist 9.78384 7.43127 9.51372 13.2204 7.56495 15.7525 numMergedOcc 0
29 mol 79 unq 3 iso 0 dist 9.78384 7.43127 9.51372 10.8598 7.63923 14.9757 numMergedOcc 0
30 mol 79 unq 4 iso 0 dist 9.78384 7.43127 9.51372 8.81685 8.23095 11.4268 numMergedOcc 0
31 mol 79 unq 5 iso 0 dist 8.03296 8.02443 3.81317 6.07693 6.2576 8.18375 numMergedOcc 0
32 mol 79 unq 6 iso 0 dist 5.82754 8.02443 4.08868 6.07693 8.96069 8.18375 numMergedOcc 0
33 mol 79 unq 7 iso 0 dist 8.87742 9.77084 12.2375 3.94192 9.99805 12.2222 numMergedOcc 0
34 mol 79 unq 8 iso 0 dist 8.87742 9.77084 12.2375 6.29733 8.84225 13.1717 numMergedOcc 0
35 mol 79 unq 9 iso 0 dist 8.87742 6.5551 13.1414 3.94192 9.99805 9.68906 numMergedOcc 0
36 mol 79 unq 10 iso 0 dist 8.87742 6.5551 13.1414 6.29733 8.84225 9.73588 numMergedOcc 0
37 mol 79 unq 11 iso 0 dist 8.87742 8.02443 6.06691 6.07693 7.56495 8.18375 numMergedOcc 0
38 mol 79 unq 12 iso 0 dist 8.87742 8.02443 6.06691 10.8556 7.63923 10.6844 numMergedOcc 0
39 mol 79 unq 13 iso 0 dist 8.87742 8.02443 6.06691 6.94036 8.23095 11.7217 numMergedOcc 0
40 mol 79 unq 14 iso 0 dist 9.26979 9.09458 3.81317 5.25584 6.2576 8.18375 numMergedOcc 0
41 mol 79 unq 15 iso 0 dist 9.05679 9.09458 4.08868 5.25584 8.96069 8.18375 numMergedOcc 0
42 mol 79 unq 16 iso 0 dist 4.93468 9.77084 6.69352 5.84075 8.33791 9.04293 numMergedOcc 0
43 mol 79 unq 17 iso 0 dist 4.93468 9.77084 6.69352 5.41884 7.38548 10.8282 numMergedOcc 0
44 mol 79 unq 18 iso 0 dist 4.93468 9.77084 6.69352 3.94192 8.2992 12.2222 numMergedOcc 0
45 mol 79 unq 19 iso 0 dist 4.93468 9.77084 6.69352 6.29733 6.72546 13.1717 numMergedOcc 0
46 mol 79 unq 20 iso 0 dist 4.93468 6.5551 6.0749 5.84075 8.33791 4.78333 numMergedOcc 0
47 mol 79 unq 21 iso 0 dist 4.93468 6.5551 6.0749 5.41884 7.38548 4.74254 numMergedOcc 0
48 mol 79 unq 22 iso 0 dist 4.93468 6.5551 6.0749 3.94192 8.2992 9.68906 numMergedOcc 0
49 mol 79 unq 23 iso 0 dist 4.93468 6.5551 6.0749 6.29733 6.72546 9.73588 numMergedOcc 0
50 mol 79 unq 24 iso 0 dist 4.93468 9.09458 6.06691 5.25584 7.56495 8.18375 numMergedOcc 0
51 mol 79 unq 25 iso 0 dist 4.93468 9.09458 6.06691 5.79629 7.63923 10.6844 numMergedOcc 0
52 mol 79 unq 26 iso 0 dist 4.93468 9.09458 6.06691 3.90527 8.23095 11.7217 numMergedOcc 0
53 mol 113 unq 0 iso 0 dist 6.6317 9.30645 9.74974 5.40648 9.62952 12.8182 numMergedOcc 0
54 mol 129 unq 0 iso 0 dist 7.59327 9.35533 8.3321 11.2951 8.98175 16.5088 numMergedOcc 0
55 mol 131 unq 0 iso 0 dist 5.87084 7.75314 6.11089 4.94367 8.47526 8.49847 numMergedOcc 0
56 mol 141 unq 0 iso 0 dist 9.83945 7.42144 16.2294 3.80087 9.59109 9.5889 numMergedOcc 0
57 mol 141 unq 1 iso 0 dist 9.83945 6.27658 15.9806 3.80087 9.59109 8.03978 numMergedOcc 0
58 mol 141 unq 2 iso 0 dist 6.75376 9.27009 6.93828 3.80763 9.59109 10.0911 numMergedOcc 0
59 mol 141 unq 3 iso 0 dist 9.10042 6.65731 14.0725 9.98068 9.59109 14.3335 numMergedOcc 0
60 mol 141 unq 4 iso 0 dist 6.83404 5.92302 10.0208 12.6017 9.38036 15.8466 numMergedOcc 0
61 mol 184 unq 0 iso 0 dist 7.54099 7.58375 4.67256 4.12242 7.02762 5.23187 numMergedOcc 0
62 mol 232 unq 0 iso 0 dist 9.8664 6.59036 4.68548 12.159 9.78273 11.9458 numMergedOcc 0
63 mol 256 unq 0 iso 0 dist 6.33496 6.85663 8.60707 10.03 6.63831 14.7937 numMergedOcc 0
64 mol 256 unq 1 iso 0 dist 6.33496 6.85663 8.60707 4.26681 9.23909 9.84242 numMergedOcc 0
65 mol 256 unq 2 iso 0 dist 6.00636 6.85663 9.39697 10.03 8.08629 14.7937 numMergedOcc 0
66 mol 256 unq 3 iso 0 dist 7.81448 6.85663 4.05082 4.26681 9.16597 9.84242 numMergedOcc 0
67 mol 277 unq 0 iso 0 dist 8.20644 9.26157 16.0346 12.1127 6.23115 21.0741 numMergedOcc 0
