0 mol 11 unq 0 iso 0 dist 5.56531 4.80143 8.01262 4.48789 5.67087 7.27724 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 5.78231 12.4304 8.91596 6.00133 5.9972 7.93694 numMergedOcc 0
2 mol 32 unq 1 iso 0 dist 9.41538 4.5514 8.91596 5.43575 5.9972 7.93694 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.16745 5.78226 6.23522 11.4785 7.78587 13.4082 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.16745 6.34076 9.10566 11.4785 7.78587 9.77992 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 6.16745 10.9974 9.62027 11.4785 7.78587 17.0996 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 8.63792 8.18176 7.61521 12.9327 8.90522 6.06861 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 6.29267 4.98967 5.25027 9.878 7.90338 7.50972 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 6.56288 7.72238 7.69926 12.0467 5.61151 10.7963 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 5.97559 7.72238 5.85237 12.0467 6.54289 10.7963 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 5.97559 7.72238 5.85237 11.8012 7.52869 4.83769 numMergedOcc 0
11 mol 85 unq 3 iso 0 dist 5.97559 7.72238 5.85237 12.0763 9.18945 6.24888 numMergedOcc 0
12 mol 85 unq 4 iso 0 dist 5.97559 14.2934 9.11768 12.0467 6.54289 7.79293 numMergedOcc 0
13 mol 85 unq 5 iso 0 dist 5.97559 14.2934 9.11768 11.8012 7.52869 4.53268 numMergedOcc 0
14 mol 85 unq 6 iso 0 dist 5.97559 14.2934 9.11768 12.0763 9.18945 6.09332 numMergedOcc 0
15 mol 111 unq 0 iso 0 dist 5.53271 4.41283 5.98809 4.10604 7.75479 7.59143 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 5.86693 4.93029 7.46621 4.41049 6.40751 7.57216 numMergedOcc 0
17 mol 147 unq 0 iso 0 dist 8.94352 6.97147 6.73617 12.1835 9.23589 6.02355 numMergedOcc 0
18 mol 154 unq 0 iso 0 dist 8.50487 8.81984 8.89394 6.17464 5.97134 5.83431 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 7.24832 10.9813 8.29467 4.56814 6.91878 6.7991 numMergedOcc 0
20 mol 184 unq 0 iso 0 dist 7.42696 13.0751 8.95136 5.83778 8.19749 10.0907 numMergedOcc 0
21 mol 218 unq 0 iso 0 dist 6.46335 5.09263 7.84952 4.40481 8.5244 7.47048 numMergedOcc 0
22 mol 281 unq 0 iso 0 dist 9.05453 4.89583 5.50053 10.095 9.94612 6.82073 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 9.14217 7.17634 5.30118 8.73374 5.50067 7.23534 numMergedOcc 0
24 mol 287 unq 1 iso 0 dist 9.14217 7.78985 8.98698 8.73374 5.50067 11.7115 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 9.14217 7.17634 5.30118 8.73374 5.50067 7.23534 numMergedOcc 0
26 mol 288 unq 1 iso 0 dist 9.14217 7.78985 8.98698 8.73374 5.50067 11.7115 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 9.14217 7.17634 5.30118 8.73374 5.50067 7.23534 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 9.14217 7.78985 8.98698 8.73374 5.50067 11.7115 numMergedOcc 0
29 mol 292 unq 0 iso 0 dist 9.15937 14.0055 9.96374 6.33111 3.93401 12.1551 numMergedOcc 0
