0 mol 7 unq 0 iso 0 dist 9.8592 6.24628 10.9666 7.91041 9.67498 13.4186 numMergedOcc 0
1 mol 69 unq 0 iso 0 dist 7.70037 9.2309 7.48749 13.7644 8.36667 15.3542 numMergedOcc 0
2 mol 87 unq 0 iso 0 dist 6.62798 6.90483 7.41574 6.32124 9.10245 12.9257 numMergedOcc 0
3 mol 87 unq 1 iso 0 dist 6.62798 7.67411 3.66319 6.32124 9.10245 11.3977 numMergedOcc 0
4 mol 102 unq 0 iso 0 dist 6.7095 8.63253 11.7098 13.457 8.63522 17.616 numMergedOcc 0
5 mol 102 unq 1 iso 0 dist 6.7095 8.63253 11.7098 10.8385 5.43401 14.2643 numMergedOcc 0
6 mol 102 unq 2 iso 0 dist 6.7095 5.15752 5.51997 13.457 8.63522 13.7049 numMergedOcc 0
7 mol 102 unq 3 iso 0 dist 6.7095 5.15752 5.51997 10.8385 5.43401 10.1221 numMergedOcc 0
8 mol 126 unq 0 iso 0 dist 9.40595 9.9347 5.6352 14.8513 7.25133 12.588 numMergedOcc 0
9 mol 126 unq 1 iso 0 dist 9.40595 4.92321 7.68024 14.8513 7.25133 14.5368 numMergedOcc 0
10 mol 227 unq 0 iso 0 dist 8.76741 7.60093 11.1791 10.5773 6.91184 14.1067 numMergedOcc 0
11 mol 245 unq 0 iso 0 dist 8.03294 9.77742 14.1895 6.5213 7.26913 16.1275 numMergedOcc 0
12 mol 245 unq 1 iso 0 dist 8.03294 9.77742 14.1895 13.9182 6.41862 20.126 numMergedOcc 0
13 mol 245 unq 2 iso 0 dist 8.03294 9.77742 14.1895 13.8285 8.69377 19.2677 numMergedOcc 0
14 mol 261 unq 0 iso 0 dist 8.36611 7.85381 6.13416 5.10045 6.41477 9.50269 numMergedOcc 0
15 mol 278 unq 0 iso 0 dist 6.03414 5.7099 4.98313 5.49004 8.87405 5.12827 numMergedOcc 0
16 mol 285 unq 0 iso 0 dist 8.17214 8.5942 6.9078 14.6688 8.63954 14.4515 numMergedOcc 0
17 mol 285 unq 1 iso 0 dist 8.17214 8.5942 6.9078 8.64319 4.74716 11.0136 numMergedOcc 0
18 mol 292 unq 0 iso 0 dist 9.73559 9.94289 6.01509 8.73661 8.12294 10.5561 numMergedOcc 0
