0 mol 46 unq 0 iso 0 dist 7.06922 9.942 11.8315 5.79552 9.98353 8.79378 numMergedOcc 0
1 mol 46 unq 1 iso 0 dist 7.06922 9.942 11.8315 14.6072 19.3858 9.7691 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 9.37527 7.92225 5.66067 15.8839 10.4432 9.34271 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 9.37527 7.92225 5.66067 5.90701 6.34078 8.69574 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 9.11976 6.42645 10.0397 3.91116 12.6981 7.25138 numMergedOcc 0
5 mol 83 unq 0 iso 0 dist 6.21251 6.72584 11.2465 10.5201 16.5566 9.94528 numMergedOcc 0
6 mol 83 unq 1 iso 0 dist 6.21251 6.72584 11.2465 7.36012 12.2477 8.94777 numMergedOcc 0
7 mol 83 unq 2 iso 0 dist 6.21251 6.72584 11.2465 14.1233 19.6087 9.47551 numMergedOcc 0
8 mol 103 unq 0 iso 0 dist 6.13194 7.85115 5.59536 6.21393 6.71671 5.53454 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 4.84604 7.84085 3.75786 9.45934 6.85651 4.82356 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 4.84604 7.84085 3.75786 5.10912 7.03858 8.83476 numMergedOcc 0
11 mol 148 unq 0 iso 0 dist 7.76167 8.99827 3.56704 5.92269 6.60739 6.81449 numMergedOcc 0
12 mol 148 unq 1 iso 0 dist 8.63766 8.99827 5.6048 5.92269 9.22427 6.81449 numMergedOcc 0
13 mol 148 unq 2 iso 0 dist 8.42082 8.99827 8.33576 5.92269 5.55129 6.81449 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 7.83202 8.97634 3.56413 5.95123 6.71763 6.87593 numMergedOcc 0
15 mol 150 unq 1 iso 0 dist 8.7107 8.97634 5.53516 5.95123 9.32504 6.87593 numMergedOcc 0
16 mol 150 unq 2 iso 0 dist 8.47493 8.97634 8.23832 5.95123 5.53778 6.87593 numMergedOcc 0
17 mol 154 unq 0 iso 0 dist 8.4581 8.12953 4.8443 13.5449 7.31277 8.26128 numMergedOcc 0
18 mol 210 unq 0 iso 0 dist 9.54076 9.72463 5.30972 17.8528 9.97171 9.49242 numMergedOcc 0
19 mol 237 unq 0 iso 0 dist 8.81333 5.27463 6.50729 5.61195 8.37331 7.69237 numMergedOcc 0
20 mol 265 unq 0 iso 0 dist 9.97669 7.71301 9.43725 9.37522 11.5231 5.8898 numMergedOcc 0
21 mol 269 unq 0 iso 0 dist 6.78303 6.53779 4.41005 4.50547 7.97206 6.72096 numMergedOcc 0
22 mol 269 unq 1 iso 0 dist 6.78303 6.53779 4.41005 5.57581 7.1068 9.18157 numMergedOcc 0
23 mol 269 unq 2 iso 0 dist 8.89706 6.02501 4.41005 6.37646 7.97206 6.72096 numMergedOcc 0
24 mol 269 unq 3 iso 0 dist 8.89706 6.02501 4.41005 8.94147 7.1068 9.18157 numMergedOcc 0
25 mol 294 unq 0 iso 0 dist 9.83824 6.70519 15.7216 9.32871 16.1826 7.48987 numMergedOcc 0
26 mol 294 unq 1 iso 0 dist 5.49473 6.70519 4.99494 9.32871 5.27236 7.48987 numMergedOcc 0
