0 mol 111 unq 0 iso 0 dist 7.75479 4.98364 7.24101 11.4065 9.34782 12.2767 numMergedOcc 0
1 mol 113 unq 0 iso 0 dist 5.45882 3.85992 6.13175 5.09579 4.49669 4.62493 numMergedOcc 0
2 mol 113 unq 1 iso 0 dist 5.45882 3.85992 6.13175 5.46299 5.88896 6.47997 numMergedOcc 0
3 mol 113 unq 2 iso 0 dist 4.57487 3.85992 4.34107 5.09579 6.00221 4.62493 numMergedOcc 0
4 mol 123 unq 0 iso 0 dist 8.53618 5.14679 8.24171 4.43225 5.56127 3.00129 numMergedOcc 0
5 mol 123 unq 1 iso 0 dist 8.53618 5.14679 8.24171 14.0485 8.03692 12.1183 numMergedOcc 0
6 mol 123 unq 2 iso 0 dist 8.53618 5.14679 8.24171 8.58632 5.36214 10.7803 numMergedOcc 0
7 mol 123 unq 3 iso 0 dist 8.53618 11.9979 5.38148 4.43225 5.56127 8.56894 numMergedOcc 0
8 mol 123 unq 4 iso 0 dist 8.53618 11.9979 5.38148 14.0485 8.03692 3.21474 numMergedOcc 0
9 mol 123 unq 5 iso 0 dist 8.53618 11.9979 5.38148 8.58632 5.36214 9.94939 numMergedOcc 0
10 mol 123 unq 6 iso 0 dist 8.53618 3.6989 6.63094 4.43225 5.56127 5.2546 numMergedOcc 0
11 mol 123 unq 7 iso 0 dist 8.53618 3.6989 6.63094 14.0485 8.03692 12.6794 numMergedOcc 0
12 mol 123 unq 8 iso 0 dist 8.53618 3.6989 6.63094 8.58632 5.36214 5.79985 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 6.50336 4.80602 8.56285 9.08526 4.88514 11.8161 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 9.68074 4.01524 7.70581 9.53687 5.60448 8.99049 numMergedOcc 0
15 mol 176 unq 0 iso 0 dist 9.67312 8.51898 5.58647 6.33976 6.85902 5.64063 numMergedOcc 0
16 mol 254 unq 0 iso 0 dist 7.23916 5.88488 5.44351 6.19835 7.85841 5.14008 numMergedOcc 0
17 mol 254 unq 1 iso 0 dist 6.12653 5.88488 6.34051 6.19835 9.20109 5.14008 numMergedOcc 0
18 mol 283 unq 0 iso 0 dist 7.83424 9.22715 9.90494 4.58127 7.31132 12.6476 numMergedOcc 0
19 mol 283 unq 1 iso 0 dist 7.83424 5.16367 5.90121 4.58127 7.31132 3.31521 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 5.50067 13.2286 9.97939 8.99193 4.68668 7.67746 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 5.50067 13.2286 9.97939 8.99193 4.68668 7.67746 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 5.50067 13.2286 9.97939 8.99193 4.68668 7.67746 numMergedOcc 0
