0 mol 12 unq 0 iso 0 dist 8.99098 7.8865 8.37383 4.60834 13.3275 9.75368 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.62527 9.7522 4.52042 4.21886 8.65828 9.80897 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.62527 9.7522 4.52042 8.25891 10.0924 8.37225 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 5.68877 7.10899 4.30086 5.70643 4.50643 7.78892 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 9.99115 8.94945 14.2098 3.86843 12.1217 5.41831 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 7.49861 8.99491 11.6779 4.69203 5.45684 8.75668 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 6.2165 8.99491 10.1207 4.69203 7.76644 8.75668 numMergedOcc 0
7 mol 110 unq 0 iso 0 dist 6.34794 7.09405 4.98189 4.37836 9.00302 7.32156 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 9.28645 7.15985 9.99381 12.3624 17.4221 9.90769 numMergedOcc 0
9 mol 155 unq 0 iso 0 dist 7.49276 4.44292 4.97552 5.49557 9.06599 8.57712 numMergedOcc 0
10 mol 173 unq 0 iso 0 dist 9.9855 8.1088 8.01577 5.07225 14.1754 9.80037 numMergedOcc 0
11 mol 180 unq 0 iso 0 dist 9.71085 7.1027 6.43878 3.90063 12.1012 7.71517 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 7.71569 5.36829 5.68711 10.6379 15.5551 9.92165 numMergedOcc 0
13 mol 229 unq 0 iso 0 dist 9.33775 7.10634 5.87361 3.99138 10.5961 9.40032 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 5.83646 9.94315 10.1036 5.64173 7.75366 4.80834 numMergedOcc 0
15 mol 244 unq 0 iso 0 dist 8.19381 7.65388 8.82711 8.49995 6.2667 9.21656 numMergedOcc 0
16 mol 244 unq 1 iso 0 dist 8.93421 7.65388 16.3489 8.49995 15.3246 9.21656 numMergedOcc 0
17 mol 244 unq 2 iso 0 dist 7.35657 7.65388 14.6599 8.49995 10.9581 9.21656 numMergedOcc 0
18 mol 244 unq 3 iso 0 dist 6.19605 7.65388 11.9885 8.49995 14.6084 9.21656 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 6.41167 5.73834 5.13233 5.66907 8.73425 9.04358 numMergedOcc 0
20 mol 271 unq 0 iso 0 dist 8.54162 9.56149 5.31774 5.60228 5.76281 9.42899 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 7.03782 8.49076 13.8866 5.02003 11.7974 8.88221 numMergedOcc 0
22 mol 274 unq 1 iso 0 dist 7.03782 8.49076 13.8866 12.6116 18.3035 9.65027 numMergedOcc 0
