0 mol 91 unq 0 iso 0 dist 8.18876 7.42828 11.1037 9.10719 9.83234 12.988 numMergedOcc 0
1 mol 91 unq 1 iso 0 dist 5.51155 5.98441 11.1037 9.08459 9.83234 12.988 numMergedOcc 0
2 mol 91 unq 2 iso 0 dist 5.51155 5.61819 4.43042 9.08459 9.83234 12.9493 numMergedOcc 0
3 mol 91 unq 3 iso 0 dist 8.29601 5.45873 11.1037 12.6858 9.83234 12.988 numMergedOcc 0
4 mol 91 unq 4 iso 0 dist 8.29601 6.97995 4.43042 12.6858 9.83234 12.9493 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 5.62903 5.93497 6.74235 4.33372 6.39026 9.92491 numMergedOcc 0
6 mol 125 unq 0 iso 0 dist 9.5205 5.05869 6.58625 6.57549 8.44933 8.2793 numMergedOcc 0
7 mol 125 unq 1 iso 0 dist 7.1608 5.05869 6.67445 6.57549 7.43803 8.2793 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 5.88001 6.41084 4.1584 13.5995 8.5614 7.66512 numMergedOcc 0
9 mol 209 unq 0 iso 0 dist 8.76212 8.8483 7.56727 11.0473 6.82209 13.9465 numMergedOcc 0
10 mol 226 unq 0 iso 0 dist 5.44698 8.22952 4.66376 11.1522 8.24741 6.82883 numMergedOcc 0
11 mol 226 unq 1 iso 0 dist 5.44698 8.22952 4.66376 4.8749 5.07958 8.22518 numMergedOcc 0
12 mol 226 unq 2 iso 0 dist 5.44698 8.22952 4.66376 6.81662 6.19519 6.02803 numMergedOcc 0
13 mol 256 unq 0 iso 0 dist 9.63091 7.32198 5.88165 11.974 9.92947 9.94144 numMergedOcc 0
14 mol 261 unq 0 iso 0 dist 5.74302 9.9247 10.9947 4.47538 7.3406 14.1396 numMergedOcc 0
15 mol 279 unq 0 iso 0 dist 7.81641 9.3338 6.2981 6.68699 8.52827 11.9352 numMergedOcc 0
16 mol 279 unq 1 iso 0 dist 7.81641 9.3338 6.2981 9.30565 7.14122 7.61501 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 4.75392 8.58448 9.45655 6.76834 8.44356 15.3007 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 4.75392 8.58448 9.45655 6.76834 8.44356 15.3007 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 4.75392 8.58448 9.45655 6.76834 8.44356 15.3007 numMergedOcc 0
