0 mol 7 unq 0 iso 0 dist 6.36911 9.68596 13.0969 9.0379 13.2603 6.7985 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 8.33604 8.53529 11.4716 12.4076 17.5554 7.03958 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 8.33604 8.53529 11.4716 8.4069 13.3876 7.18019 numMergedOcc 0
3 mol 8 unq 2 iso 0 dist 8.33604 8.53529 11.4716 12.9016 18.4127 8.44009 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 9.87449 8.64915 10.9409 10.5747 17.2884 7.32257 numMergedOcc 0
5 mol 9 unq 1 iso 0 dist 9.87449 8.64915 10.9409 5.06358 12.9221 6.55811 numMergedOcc 0
6 mol 9 unq 2 iso 0 dist 9.87449 8.17347 8.50857 5.06358 12.9221 7.36018 numMergedOcc 0
7 mol 15 unq 0 iso 0 dist 9.29358 5.89412 6.19131 11.0528 10.2062 7.07399 numMergedOcc 0
8 mol 15 unq 1 iso 0 dist 8.21493 7.07399 6.33828 11.0528 10.6943 5.89412 numMergedOcc 0
9 mol 19 unq 0 iso 0 dist 8.78293 7.75618 6.2337 7.67038 13.4721 8.40416 numMergedOcc 0
10 mol 19 unq 1 iso 0 dist 8.23643 7.75618 14.4867 7.67038 14.6255 8.40416 numMergedOcc 0
11 mol 19 unq 2 iso 0 dist 6.20943 8.40416 11.4087 7.67038 7.82528 7.75618 numMergedOcc 0
12 mol 19 unq 3 iso 0 dist 7.82528 7.75618 11.4087 7.67038 6.20943 8.40416 numMergedOcc 0
13 mol 19 unq 4 iso 0 dist 8.58657 6.41423 5.90856 5.80928 9.58539 6.41575 numMergedOcc 0
14 mol 24 unq 0 iso 0 dist 9.75144 7.29868 13.719 15.5315 20.8959 8.4051 numMergedOcc 0
15 mol 24 unq 1 iso 0 dist 9.75144 7.29868 13.719 10.0952 12.4274 8.60554 numMergedOcc 0
16 mol 25 unq 0 iso 0 dist 7.685 8.6653 12.9735 10.6808 16.7035 7.92503 numMergedOcc 0
17 mol 26 unq 0 iso 0 dist 8.82012 6.46104 4.98603 7.96502 10.9838 7.36856 numMergedOcc 0
18 mol 58 unq 0 iso 0 dist 8.63333 9.92355 12.0055 5.30792 11.5023 5.93884 numMergedOcc 0
19 mol 58 unq 1 iso 0 dist 8.63333 9.92355 12.0055 5.35073 8.89374 7.68678 numMergedOcc 0
20 mol 58 unq 2 iso 0 dist 9.64665 5.93884 5.27642 5.30792 11.4118 9.92355 numMergedOcc 0
21 mol 58 unq 3 iso 0 dist 9.64665 5.93884 5.27642 4.81926 9.66798 7.68678 numMergedOcc 0
22 mol 58 unq 4 iso 0 dist 8.89374 7.68678 12.0055 5.35073 8.63333 9.92355 numMergedOcc 0
23 mol 58 unq 5 iso 0 dist 8.89374 7.68678 12.0055 4.81926 11.5023 5.93884 numMergedOcc 0
24 mol 100 unq 0 iso 0 dist 6.58204 7.01812 10.0891 5.88134 7.75343 8.30845 numMergedOcc 0
25 mol 100 unq 1 iso 0 dist 7.75343 8.30845 10.0891 5.88134 6.58204 7.01812 numMergedOcc 0
26 mol 101 unq 0 iso 0 dist 9.57816 7.61685 7.83985 6.69637 10.6222 6.98314 numMergedOcc 0
27 mol 130 unq 0 iso 0 dist 6.79146 7.88805 6.08911 4.5207 9.87631 8.78276 numMergedOcc 0
28 mol 130 unq 1 iso 0 dist 6.79146 7.88805 6.08911 10.0969 13.0127 7.96646 numMergedOcc 0
29 mol 130 unq 2 iso 0 dist 6.79146 7.88805 6.08911 7.01619 7.66168 7.90048 numMergedOcc 0
30 mol 130 unq 3 iso 0 dist 7.66168 7.90048 6.08911 10.5137 9.87631 8.78276 numMergedOcc 0
31 mol 130 unq 4 iso 0 dist 7.66168 7.90048 6.08911 7.01619 6.79146 7.88805 numMergedOcc 0
32 mol 130 unq 5 iso 0 dist 7.66168 7.90048 6.08911 10.7116 13.0127 7.96646 numMergedOcc 0
33 mol 130 unq 6 iso 0 dist 9.12581 7.90048 10.0581 10.5137 15.6073 8.78276 numMergedOcc 0
34 mol 130 unq 7 iso 0 dist 9.12581 7.90048 10.0581 7.01619 11.9081 7.88805 numMergedOcc 0
35 mol 130 unq 8 iso 0 dist 9.12581 7.90048 10.0581 10.7116 17.1695 7.96646 numMergedOcc 0
36 mol 134 unq 0 iso 0 dist 8.6355 7.80532 14.1488 5.79898 12.0514 5.83771 numMergedOcc 0
37 mol 155 unq 0 iso 0 dist 9.87281 8.69157 7.6506 7.01918 12.0728 6.53347 numMergedOcc 0
38 mol 155 unq 1 iso 0 dist 7.39644 6.53347 6.40403 7.01918 13.1369 8.69157 numMergedOcc 0
39 mol 155 unq 2 iso 0 dist 8.65888 8.69157 4.40321 7.01918 7.70572 6.53347 numMergedOcc 0
40 mol 155 unq 3 iso 0 dist 7.70572 6.53347 4.40321 7.01918 8.65888 8.69157 numMergedOcc 0
41 mol 155 unq 4 iso 0 dist 8.27111 8.69157 6.00473 7.01918 10.6403 6.53347 numMergedOcc 0
42 mol 156 unq 0 iso 0 dist 8.47155 6.30021 10.0003 5.76755 9.36805 9.47433 numMergedOcc 0
43 mol 156 unq 1 iso 0 dist 9.36805 9.44367 10.143 5.56175 13.1853 7.90267 numMergedOcc 0
44 mol 156 unq 2 iso 0 dist 9.36805 9.47433 10.0003 5.76755 8.47155 6.30021 numMergedOcc 0
45 mol 181 unq 0 iso 0 dist 7.20046 7.99195 4.69841 8.88798 10.2276 6.2479 numMergedOcc 0
46 mol 181 unq 1 iso 0 dist 7.20046 7.99195 4.69841 12.6324 10.3493 6.22122 numMergedOcc 0
47 mol 181 unq 2 iso 0 dist 7.13543 7.99195 7.23063 8.88798 10.7636 6.2479 numMergedOcc 0
48 mol 181 unq 3 iso 0 dist 7.13543 7.99195 7.23063 12.6324 13.1996 6.22122 numMergedOcc 0
49 mol 181 unq 4 iso 0 dist 6.93764 6.41453 6.05477 8.85576 11.4148 9.39829 numMergedOcc 0
50 mol 181 unq 5 iso 0 dist 4.93785 9.39829 7.30555 8.85576 10.1232 6.41453 numMergedOcc 0
51 mol 195 unq 0 iso 0 dist 8.36117 9.26504 4.4994 10.7531 9.36654 7.36683 numMergedOcc 0
52 mol 195 unq 1 iso 0 dist 6.77578 9.26504 5.99784 10.7531 11.955 7.36683 numMergedOcc 0
53 mol 213 unq 0 iso 0 dist 6.0965 7.73322 10.5013 5.45334 11.5105 8.14332 numMergedOcc 0
54 mol 213 unq 1 iso 0 dist 9.59129 7.73322 9.93085 5.45334 13.8919 8.14332 numMergedOcc 0
55 mol 232 unq 0 iso 0 dist 7.07392 8.50102 10.9886 6.56633 11.5589 9.40808 numMergedOcc 0
56 mol 235 unq 0 iso 0 dist 5.65339 6.21292 7.96337 8.31875 10.4621 6.36341 numMergedOcc 0
57 mol 235 unq 1 iso 0 dist 5.65339 6.21292 7.96337 4.53064 9.96742 9.21736 numMergedOcc 0
58 mol 235 unq 2 iso 0 dist 5.65339 6.95126 4.29892 9.89669 10.7117 9.55668 numMergedOcc 0
59 mol 235 unq 3 iso 0 dist 9.58736 9.55668 13.128 9.89669 12.3562 6.95126 numMergedOcc 0
60 mol 235 unq 4 iso 0 dist 9.43058 9.21736 17.5445 10.5547 19.8728 6.36341 numMergedOcc 0
61 mol 235 unq 5 iso 0 dist 9.43058 9.21736 17.5445 4.53064 12.3562 6.21292 numMergedOcc 0
62 mol 238 unq 0 iso 0 dist 9.29858 9.24557 10.3809 10.0191 12.5477 7.57812 numMergedOcc 0
63 mol 238 unq 1 iso 0 dist 9.90142 7.57812 10.3147 10.0191 10.7386 9.24557 numMergedOcc 0
64 mol 238 unq 2 iso 0 dist 6.05141 8.94014 11.5793 5.6348 8.09066 7.02333 numMergedOcc 0
65 mol 238 unq 3 iso 0 dist 6.05141 8.94014 11.5793 8.87326 7.2766 8.67864 numMergedOcc 0
66 mol 238 unq 4 iso 0 dist 8.14172 7.02333 4.38002 5.6348 10.6978 8.94014 numMergedOcc 0
67 mol 238 unq 5 iso 0 dist 8.14172 7.02333 4.38002 5.31152 6.77463 8.67864 numMergedOcc 0
68 mol 238 unq 6 iso 0 dist 8.09066 7.02333 11.5793 5.6348 6.05141 8.94014 numMergedOcc 0
69 mol 238 unq 7 iso 0 dist 8.09066 7.02333 11.5793 5.31152 7.2766 8.67864 numMergedOcc 0
70 mol 238 unq 8 iso 0 dist 6.77463 8.67864 4.38002 8.87326 10.6978 8.94014 numMergedOcc 0
71 mol 238 unq 9 iso 0 dist 6.77463 8.67864 4.38002 5.31152 8.14172 7.02333 numMergedOcc 0
72 mol 238 unq 10 iso 0 dist 7.2766 8.67864 11.5793 8.87326 6.05141 8.94014 numMergedOcc 0
73 mol 238 unq 11 iso 0 dist 7.2766 8.67864 11.5793 5.31152 8.09066 7.02333 numMergedOcc 0
74 mol 249 unq 0 iso 0 dist 8.83735 5.48118 10.639 5.3927 13.5805 7.25858 numMergedOcc 0
75 mol 274 unq 0 iso 0 dist 9.19234 9.45514 12.625 10.501 14.4703 7.46394 numMergedOcc 0
76 mol 274 unq 1 iso 0 dist 9.19234 9.45514 12.625 11.7196 17.725 8.91672 numMergedOcc 0
77 mol 274 unq 2 iso 0 dist 9.19234 9.45514 12.625 6.828 14.3124 7.1729 numMergedOcc 0
78 mol 274 unq 3 iso 0 dist 9.19234 6.39866 4.60275 11.3308 12.5979 8.52587 numMergedOcc 0
79 mol 278 unq 0 iso 0 dist 6.35287 8.00673 7.83538 8.29447 12.1774 6.62841 numMergedOcc 0
80 mol 284 unq 0 iso 0 dist 8.41504 7.8343 5.39591 5.87439 10.0956 9.33437 numMergedOcc 0
