0 mol 7 unq 0 iso 0 dist 5.72491 8.72114 10.1959 10.789 9.55056 13.6379 6.34041 11.024 6.14469 14.0429 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.72491 8.72114 10.1959 10.515 7.45262 9.97624 6.34041 11.024 6.14469 13.0969 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 7.05346 7.32257 8.88528 13.5628 9.82483 11.6997 8.50424 8.076 7.35972 6.0397 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 9.78006 9.62394 7.28672 5.60154 8.04924 9.57198 16.147 10.7921 7.35972 13.9252 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 9.78006 9.62394 7.28672 5.60154 8.04924 9.57198 19.4709 14.8012 9.93542 18.4167 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 5.39241 8.62284 13.2857 4.32034 9.69752 8.00171 5.90981 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 6.60423 9.41441 11.9395 5.39241 8.62284 13.2857 12.2662 16.6617 5.95834 16.1279 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 6.60423 9.41441 11.9395 5.39241 8.62284 13.2857 8.67951 12.7806 4.2121 13.2265 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 6.60423 9.41441 11.9395 5.39241 8.62284 13.2857 8.52463 9.36461 6.72323 13.719 numMergedOcc 0
9 mol 25 unq 0 iso 0 dist 6.6492 7.45383 11.7817 4.70708 8.5404 10.7875 5.77929 11.4352 6.25843 6.06874 numMergedOcc 0
10 mol 25 unq 1 iso 0 dist 6.6492 9.01548 9.12941 4.70708 8.5404 6.63839 5.77929 11.4352 8.88938 6.06874 numMergedOcc 0
11 mol 26 unq 0 iso 0 dist 8.6385 7.36856 5.30297 4.74747 7.61055 7.3022 5.81765 10.9962 6.93197 6.78223 numMergedOcc 0
12 mol 44 unq 0 iso 0 dist 7.52117 9.6782 5.1728 5.87283 9.17518 13.4333 4.55437 7.03307 7.48846 9.05795 numMergedOcc 0
13 mol 44 unq 1 iso 0 dist 7.52117 9.6782 5.1728 10.6223 8.21833 13.2979 4.55437 7.03307 7.48846 11.814 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 8.65802 7.52354 5.8102 12.3813 9.20197 14.3836 14.3301 10.9559 9.91054 17.0988 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 7.73169 7.30357 8.40261 5.07967 7.04913 7.30946 5.81563 12.9107 8.21184 8.79853 numMergedOcc 0
16 mol 156 unq 1 iso 0 dist 7.73169 7.30357 8.40261 5.07967 7.04913 7.30946 5.52796 10.6978 5.41575 5.69209 numMergedOcc 0
17 mol 156 unq 2 iso 0 dist 7.73169 8.61587 12.8796 5.07967 7.04913 11.3161 5.81563 12.9107 5.9976 8.79853 numMergedOcc 0
18 mol 156 unq 3 iso 0 dist 7.73169 8.61587 12.8796 5.07967 7.04913 11.3161 5.52796 10.6978 6.86566 5.69209 numMergedOcc 0
19 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 8.08908 5.73148 10.4506 5.48551 10.352 7.22518 11.9025 numMergedOcc 0
20 mol 171 unq 1 iso 0 dist 7.71426 5.93786 6.29877 8.08908 5.73148 10.4506 7.9651 11.4752 5.25109 14.8329 numMergedOcc 0
21 mol 171 unq 2 iso 0 dist 7.71426 8.1344 5.90358 8.08908 5.73148 10.7861 5.48551 10.352 7.58499 11.9025 numMergedOcc 0
22 mol 171 unq 3 iso 0 dist 7.71426 8.1344 5.90358 8.08908 5.73148 10.7861 7.9651 11.4752 8.21618 14.8329 numMergedOcc 0
23 mol 171 unq 4 iso 0 dist 5.10618 8.24693 6.29877 6.05805 5.73148 10.4506 8.05069 10.352 7.22518 11.9025 numMergedOcc 0
24 mol 171 unq 5 iso 0 dist 5.10618 8.24693 6.29877 6.05805 5.73148 10.4506 12.6853 11.4752 5.25109 14.8329 numMergedOcc 0
25 mol 171 unq 6 iso 0 dist 5.10618 6.71356 5.90358 6.05805 5.73148 10.7861 8.05069 10.352 7.58499 11.9025 numMergedOcc 0
26 mol 171 unq 7 iso 0 dist 5.10618 6.71356 5.90358 6.05805 5.73148 10.7861 12.6853 11.4752 8.21618 14.8329 numMergedOcc 0
27 mol 192 unq 0 iso 0 dist 7.24199 8.77999 3.86183 5.71262 8.53433 7.33225 12.717 10.3117 6.60053 8.38671 numMergedOcc 0
28 mol 192 unq 1 iso 0 dist 7.24199 8.77999 3.86183 5.71262 8.53433 7.33225 14.8459 12.6156 9.36796 11.0721 numMergedOcc 0
29 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 15.9311 9.77862 11.6497 11.6598 5.68348 6.1886 5.63279 numMergedOcc 0
30 mol 194 unq 1 iso 0 dist 8.83356 6.72379 7.50057 5.38925 9.77862 9.3402 7.11753 5.68348 6.38324 5.63279 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 6.66971 8.69104 10.2777 13.0842 9.42618 9.69818 8.1195 13.0636 5.92374 14.6816 numMergedOcc 0
