0 mol 18 unq 0 iso 0 dist 5.59658 7.94376 4.97344 3.84273 8.11835 11.2941 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 5.9372 8.17583 5.09598 11.6859 9.58192 14.51 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.93597 7.03544 9.24588 11.076 9.58192 15.8473 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 7.11491 6.28603 8.66712 8.23404 7.78689 13.5889 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 7.11491 8.80303 9.07711 8.23404 7.78689 14.6829 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 5.82264 7.84895 11.4886 5.50677 7.7927 12.6925 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 5.82264 7.84895 11.4886 3.90503 6.17378 11.6965 numMergedOcc 0
7 mol 48 unq 4 iso 0 dist 5.82264 5.8541 8.45701 5.50677 7.7927 10.361 numMergedOcc 0
8 mol 48 unq 5 iso 0 dist 5.82264 5.8541 8.45701 3.90503 6.17378 9.6867 numMergedOcc 0
9 mol 48 unq 6 iso 0 dist 5.82264 7.20729 8.79085 5.50677 7.7927 12.1151 numMergedOcc 0
10 mol 48 unq 7 iso 0 dist 5.82264 7.20729 8.79085 3.90503 6.17378 8.97853 numMergedOcc 0
11 mol 48 unq 8 iso 0 dist 5.82264 5.72703 10.0122 5.50677 7.7927 10.7794 numMergedOcc 0
12 mol 48 unq 9 iso 0 dist 5.82264 5.72703 10.0122 3.90503 6.17378 8.53204 numMergedOcc 0
13 mol 48 unq 10 iso 0 dist 8.56365 7.47783 9.94041 11.8248 7.7927 16.6394 numMergedOcc 0
14 mol 48 unq 11 iso 0 dist 8.56365 7.47783 9.94041 9.10288 6.17378 13.892 numMergedOcc 0
15 mol 48 unq 12 iso 0 dist 8.56365 8.74151 5.553 11.8248 7.7927 12.6487 numMergedOcc 0
16 mol 48 unq 13 iso 0 dist 8.56365 8.74151 5.553 9.10288 6.17378 11.151 numMergedOcc 0
17 mol 48 unq 14 iso 0 dist 8.56365 8.69662 8.14415 11.8248 7.7927 15.2851 numMergedOcc 0
18 mol 48 unq 15 iso 0 dist 8.56365 8.69662 8.14415 9.10288 6.17378 13.3372 numMergedOcc 0
19 mol 48 unq 16 iso 0 dist 7.1829 5.73454 8.61401 8.13327 7.70645 13.068 numMergedOcc 0
20 mol 48 unq 17 iso 0 dist 7.1829 8.2012 9.16142 8.13327 7.70645 14.2441 numMergedOcc 0
21 mol 79 unq 0 iso 0 dist 7.56495 7.63923 5.30569 9.78235 7.92114 8.8955 numMergedOcc 0
22 mol 79 unq 1 iso 0 dist 7.56495 7.63923 5.30569 6.06691 8.18375 10.6844 numMergedOcc 0
23 mol 79 unq 2 iso 0 dist 7.56495 8.23095 7.28768 9.78235 7.92114 14.5258 numMergedOcc 0
24 mol 79 unq 3 iso 0 dist 7.56495 8.23095 7.28768 6.06691 8.18375 11.7217 numMergedOcc 0
25 mol 79 unq 4 iso 0 dist 8.33791 7.38548 5.63083 6.69352 9.04293 10.8282 numMergedOcc 0
26 mol 79 unq 5 iso 0 dist 8.33791 7.38548 5.63083 6.0749 4.78333 4.74254 numMergedOcc 0
27 mol 79 unq 6 iso 0 dist 8.33791 8.2992 7.01314 6.69352 9.04293 12.2222 numMergedOcc 0
28 mol 79 unq 7 iso 0 dist 8.33791 8.2992 7.01314 6.0749 4.78333 9.68906 numMergedOcc 0
29 mol 79 unq 8 iso 0 dist 8.33791 6.72546 11.179 6.69352 9.04293 13.1717 numMergedOcc 0
30 mol 79 unq 9 iso 0 dist 8.33791 6.72546 11.179 6.0749 4.78333 9.73588 numMergedOcc 0
31 mol 79 unq 10 iso 0 dist 7.38548 8.33791 5.63083 6.0749 4.74254 4.78333 numMergedOcc 0
32 mol 79 unq 11 iso 0 dist 7.38548 8.2992 8.44801 6.0749 4.74254 9.68906 numMergedOcc 0
33 mol 79 unq 12 iso 0 dist 7.38548 6.72546 7.13643 6.0749 4.74254 9.73588 numMergedOcc 0
34 mol 85 unq 0 iso 0 dist 9.13593 8.25144 2.58673 10.797 4.29937 5.37869 numMergedOcc 0
35 mol 85 unq 1 iso 0 dist 9.13593 8.25144 2.58673 7.04693 3.65628 4.05415 numMergedOcc 0
36 mol 85 unq 2 iso 0 dist 9.13593 8.25144 2.58673 6.7475 9.77774 9.97944 numMergedOcc 0
37 mol 85 unq 3 iso 0 dist 8.25144 9.13593 2.58673 10.797 5.37869 4.29937 numMergedOcc 0
38 mol 85 unq 4 iso 0 dist 8.25144 9.13593 2.58673 7.04693 4.05415 3.65628 numMergedOcc 0
39 mol 85 unq 5 iso 0 dist 8.25144 9.13593 2.58673 6.7475 9.97944 9.77774 numMergedOcc 0
40 mol 113 unq 0 iso 0 dist 5.35711 6.23759 7.41778 3.84573 4.30875 9.06319 numMergedOcc 0
41 mol 123 unq 0 iso 0 dist 7.30244 9.42762 8.77423 10.9073 4.14492 10.3616 numMergedOcc 0
42 mol 141 unq 0 iso 0 dist 6.90583 6.75593 10.7858 9.84473 5.95801 9.92715 numMergedOcc 0
43 mol 141 unq 1 iso 0 dist 6.90583 8.83562 13.6003 9.84473 5.95801 12.4743 numMergedOcc 0
44 mol 141 unq 2 iso 0 dist 8.40695 9.35867 5.71798 11.0215 7.56563 10.0967 numMergedOcc 0
45 mol 141 unq 3 iso 0 dist 6.75593 6.90583 10.7858 9.84473 9.92715 5.95801 numMergedOcc 0
46 mol 141 unq 4 iso 0 dist 6.75593 8.83562 3.02458 9.84473 9.92715 12.4743 numMergedOcc 0
47 mol 168 unq 0 iso 0 dist 6.12453 9.87447 5.29906 12.6805 7.0961 8.26768 numMergedOcc 0
48 mol 168 unq 1 iso 0 dist 6.12453 9.87447 5.29906 4.02702 8.21227 11.0485 numMergedOcc 0
49 mol 168 unq 2 iso 0 dist 6.12453 9.87447 5.29906 7.61798 6.53038 9.04677 numMergedOcc 0
50 mol 168 unq 3 iso 0 dist 9.87447 6.12453 5.29906 12.6805 8.26768 7.0961 numMergedOcc 0
51 mol 169 unq 0 iso 0 dist 5.41121 6.35799 7.75905 3.95773 4.11374 9.23839 numMergedOcc 0
52 mol 169 unq 1 iso 0 dist 7.85698 8.75484 16.4124 7.40692 7.65903 14.4388 numMergedOcc 0
53 mol 169 unq 2 iso 0 dist 6.35799 5.41121 7.75905 9.68109 7.65903 13.9759 numMergedOcc 0
54 mol 186 unq 0 iso 0 dist 7.37629 5.68985 3.09727 8.66149 9.17458 7.36794 numMergedOcc 0
55 mol 186 unq 1 iso 0 dist 7.37629 5.68985 3.09727 3.87169 6.94594 5.81881 numMergedOcc 0
56 mol 186 unq 2 iso 0 dist 5.68985 7.37629 3.09727 8.66149 7.36794 9.17458 numMergedOcc 0
57 mol 186 unq 3 iso 0 dist 5.68985 7.37629 3.09727 3.87169 5.81881 6.94594 numMergedOcc 0
58 mol 205 unq 0 iso 0 dist 6.81516 9.17562 10.1158 5.19196 7.88986 12.8795 numMergedOcc 0
59 mol 205 unq 1 iso 0 dist 9.17562 6.81516 10.1158 7.25932 4.97301 11.4354 numMergedOcc 0
60 mol 214 unq 0 iso 0 dist 5.05626 8.41013 10.5332 3.94038 8.49349 6.50654 numMergedOcc 0
61 mol 214 unq 1 iso 0 dist 8.41013 5.05626 10.5332 3.94038 6.50654 8.49349 numMergedOcc 0
62 mol 279 unq 0 iso 0 dist 8.77098 8.25623 10.472 3.80663 8.62266 10.2657 numMergedOcc 0
63 mol 279 unq 1 iso 0 dist 8.77098 9.78784 8.70414 3.80663 8.62266 12.6089 numMergedOcc 0
64 mol 285 unq 0 iso 0 dist 8.79261 9.99125 4.87372 6.3633 4.27826 5.82074 numMergedOcc 0
65 mol 285 unq 1 iso 0 dist 9.99125 8.79261 4.87372 6.3633 5.82074 4.27826 numMergedOcc 0
