0 mol 44 unq 0 iso 0 dist 9.06073 4.53848 5.87258 7.20409 11.0602 7.61923 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 9.06073 4.53848 5.87258 5.93729 6.3575 5.11941 numMergedOcc 0
2 mol 44 unq 2 iso 0 dist 9.06073 4.53848 5.87258 8.94497 5.73343 5.84744 numMergedOcc 0
3 mol 44 unq 3 iso 0 dist 9.06073 4.53848 5.87258 9.7328 3.97557 7.7864 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.41359 5.26955 8.63743 5.78051 8.12928 5.41774 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 9.47924 4.05111 9.78762 9.0101 15.1383 6.63973 numMergedOcc 0
6 mol 89 unq 0 iso 0 dist 9.01405 5.61553 5.10735 12.2557 4.78712 7.55644 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 3.90209 4.54306 6.74197 4.3761 8.19607 5.33961 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 3.90209 4.54306 6.74197 10.6512 13.8287 9.29816 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 3.90209 4.54306 6.74197 5.84583 4.67787 5.08983 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.06422 5.74561 6.88175 4.90449 7.49885 5.90003 numMergedOcc 0
11 mol 144 unq 0 iso 0 dist 9.17163 4.9743 6.03283 9.87298 12.3102 7.46026 numMergedOcc 0
12 mol 144 unq 1 iso 0 dist 9.17163 5.03085 9.05357 9.87298 12.3102 7.94971 numMergedOcc 0
13 mol 171 unq 0 iso 0 dist 8.63202 4.91613 8.09699 7.7195 12.1824 6.51523 numMergedOcc 0
14 mol 171 unq 1 iso 0 dist 4.46397 4.61696 8.09699 8.30819 12.1824 6.51523 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 9.92602 10.6671 8.41456 18.8488 13.4102 9.18289 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 9.08415 10.9346 8.41456 17.3861 13.4102 9.18289 numMergedOcc 0
17 mol 192 unq 0 iso 0 dist 9.41747 4.53842 9.62225 9.02212 10.161 8.8637 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 5.70397 4.60102 7.84418 9.67866 7.43264 8.69512 numMergedOcc 0
19 mol 205 unq 1 iso 0 dist 4.67361 4.60102 6.92823 9.67866 12.1402 8.69512 numMergedOcc 0
20 mol 212 unq 0 iso 0 dist 9.65834 5.93575 7.06117 10.8379 9.48834 5.03184 numMergedOcc 0
21 mol 212 unq 1 iso 0 dist 8.09995 4.71123 7.06117 7.67675 9.48834 5.03184 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 8.27605 10.935 7.61739 6.17749 6.45821 8.86886 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 9.73405 9.59406 5.41453 13.7773 5.12308 6.96382 numMergedOcc 0
