0 mol 7 unq 0 iso 0 dist 9.54727 6.11915 8.60435 6.72215 6.58469 6.02702 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.54727 6.11915 8.60435 12.8863 16.4405 8.72114 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 5.87266 11.607 8.076 14.995 11.0722 9.62394 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 9.60462 5.94302 8.076 11.063 11.0722 9.62394 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 9.36946 6.78554 6.32226 11.1865 14.814 9.62394 numMergedOcc 0
5 mol 9 unq 3 iso 0 dist 8.69493 6.57322 6.59455 13.822 9.87669 7.32257 numMergedOcc 0
6 mol 9 unq 4 iso 0 dist 8.69493 6.57322 6.59455 11.6107 11.4245 6.55811 numMergedOcc 0
7 mol 9 unq 5 iso 0 dist 8.69493 6.57322 6.59455 11.6482 14.7278 8.64915 numMergedOcc 0
8 mol 9 unq 6 iso 0 dist 8.69493 7.5263 5.71201 11.6107 11.4245 8.48677 numMergedOcc 0
9 mol 9 unq 7 iso 0 dist 7.02963 9.06833 6.59455 14.7488 9.87669 7.32257 numMergedOcc 0
10 mol 9 unq 8 iso 0 dist 7.02963 9.06833 6.59455 13.2158 11.4245 6.55811 numMergedOcc 0
11 mol 9 unq 9 iso 0 dist 7.02963 9.06833 6.59455 14.8363 14.7278 8.64915 numMergedOcc 0
12 mol 9 unq 10 iso 0 dist 7.02963 5.38864 5.71201 13.2158 11.4245 8.48677 numMergedOcc 0
13 mol 19 unq 0 iso 0 dist 8.41365 10.1168 6.39966 13.1233 5.18512 6.41575 numMergedOcc 0
14 mol 19 unq 1 iso 0 dist 8.41365 10.1168 6.39966 15.2251 9.47529 6.41423 numMergedOcc 0
15 mol 24 unq 0 iso 0 dist 5.78238 12.1924 9.69752 10.6042 6.00575 7.33768 numMergedOcc 0
16 mol 24 unq 1 iso 0 dist 5.78238 14.9821 9.36461 22.8598 17.4067 8.4051 numMergedOcc 0
17 mol 24 unq 2 iso 0 dist 5.78238 14.9821 9.36461 10.6042 6.00575 7.29868 numMergedOcc 0
18 mol 24 unq 3 iso 0 dist 5.78238 14.9821 9.36461 9.90845 5.97304 8.60554 numMergedOcc 0
19 mol 75 unq 0 iso 0 dist 6.13936 6.21982 7.6433 9.5668 5.36954 9.81166 numMergedOcc 0
20 mol 108 unq 0 iso 0 dist 7.96745 4.70778 6.12967 7.29462 9.53349 9.01852 numMergedOcc 0
21 mol 119 unq 0 iso 0 dist 9.09364 6.25204 7.12072 6.49205 5.75886 8.00003 numMergedOcc 0
22 mol 126 unq 0 iso 0 dist 8.8359 4.43093 5.94233 9.06961 5.5703 6.30546 numMergedOcc 0
23 mol 126 unq 1 iso 0 dist 8.8359 10.6362 8.56219 15.6417 9.71711 6.29233 numMergedOcc 0
24 mol 131 unq 0 iso 0 dist 7.5344 6.14427 5.56627 11.439 5.89022 9.90168 numMergedOcc 0
25 mol 131 unq 1 iso 0 dist 9.77097 4.17212 6.48674 8.97145 7.73656 8.70296 numMergedOcc 0
26 mol 135 unq 0 iso 0 dist 6.80457 5.14857 9.40325 6.5228 5.66293 5.62052 numMergedOcc 0
27 mol 135 unq 1 iso 0 dist 6.80457 5.14857 9.40325 10.9745 10.1275 7.85645 numMergedOcc 0
28 mol 135 unq 2 iso 0 dist 6.80457 5.26692 7.62606 6.5228 5.66293 7.90563 numMergedOcc 0
29 mol 135 unq 3 iso 0 dist 6.80457 5.26692 7.62606 10.9745 10.1275 8.97655 numMergedOcc 0
30 mol 156 unq 0 iso 0 dist 8.86912 10.2977 7.46845 18.5146 12.962 9.00416 numMergedOcc 0
31 mol 175 unq 0 iso 0 dist 5.32236 10.5222 9.71028 9.00898 4.24624 9.39352 numMergedOcc 0
32 mol 220 unq 0 iso 0 dist 6.50846 4.39102 5.37796 9.8711 6.17628 6.59716 numMergedOcc 0
33 mol 226 unq 0 iso 0 dist 5.01717 7.93097 6.26945 14.3079 10.142 8.80683 numMergedOcc 0
34 mol 226 unq 1 iso 0 dist 5.01717 7.93097 6.26945 9.5723 6.05184 6.11704 numMergedOcc 0
35 mol 226 unq 2 iso 0 dist 5.01717 4.87605 6.37744 10.6892 5.96825 9.83827 numMergedOcc 0
36 mol 232 unq 0 iso 0 dist 6.29118 5.39184 6.57921 11.1472 5.8023 8.50102 numMergedOcc 0
37 mol 232 unq 1 iso 0 dist 6.29118 5.39184 6.57921 11.2186 8.25884 9.40808 numMergedOcc 0
38 mol 237 unq 0 iso 0 dist 9.82325 8.50643 5.6703 13.9688 5.51666 9.16003 numMergedOcc 0
39 mol 237 unq 1 iso 0 dist 9.82325 13.9178 8.72819 17.7057 15.1884 6.99315 numMergedOcc 0
40 mol 237 unq 2 iso 0 dist 9.82325 13.9178 8.72819 18.5349 9.52569 9.60163 numMergedOcc 0
41 mol 248 unq 0 iso 0 dist 7.21518 5.81577 7.97135 7.66519 6.71566 7.16525 numMergedOcc 0
