0 mol 7 unq 0 iso 0 dist 6.24628 5.93318 8.23909 11.3122 13.9246 5.83658 8.88594 7.7393 4.92824 8.14952 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.53191 5.40129 5.38191 11.471 8.65318 6.09782 8.65277 8.42643 5.29727 7.00677 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 9.2309 4.59504 9.74996 7.70037 7.48749 8.24121 13.7644 15.3542 14.9981 8.36667 numMergedOcc 0
3 mol 69 unq 1 iso 0 dist 9.2309 6.09189 8.21667 7.70037 7.48749 8.52371 13.7644 15.3542 13.689 8.36667 numMergedOcc 0
4 mol 87 unq 0 iso 0 dist 7.67411 7.2527 8.50159 6.62798 3.66319 5.26938 6.32124 11.3977 5.39287 9.10245 numMergedOcc 0
5 mol 102 unq 0 iso 0 dist 8.63253 8.90571 9.01767 6.7095 11.7098 9.0361 13.457 17.616 10.2218 8.63522 numMergedOcc 0
6 mol 102 unq 1 iso 0 dist 8.63253 8.90571 9.01767 6.7095 11.7098 9.0361 10.8385 14.2643 8.17186 5.43401 numMergedOcc 0
7 mol 102 unq 2 iso 0 dist 5.15752 5.26061 9.43411 6.7095 5.51997 7.48277 13.457 13.7049 10.8684 8.63522 numMergedOcc 0
8 mol 102 unq 3 iso 0 dist 5.15752 5.26061 9.43411 6.7095 5.51997 7.48277 10.8385 10.1221 9.76734 5.43401 numMergedOcc 0
9 mol 102 unq 4 iso 0 dist 5.15752 8.90571 9.80678 6.7095 5.51997 9.0361 13.457 13.7049 10.2218 8.63522 numMergedOcc 0
10 mol 102 unq 5 iso 0 dist 5.15752 8.90571 9.80678 6.7095 5.51997 9.0361 10.8385 10.1221 8.17186 5.43401 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 8.90273 9.83765 6.86946 16.4236 11.6665 8.93552 19.0921 17.2805 11.909 7.67341 numMergedOcc 0
12 mol 140 unq 0 iso 0 dist 9.69499 7.49203 9.93572 11.5101 8.91817 5.44596 7.17642 13.6724 4.83408 9.92335 numMergedOcc 0
13 mol 227 unq 0 iso 0 dist 7.60093 7.39364 9.18675 8.76741 11.1791 6.095 10.5773 14.1067 5.0258 6.91184 numMergedOcc 0
14 mol 235 unq 0 iso 0 dist 5.47932 10.5401 9.2433 11.6217 7.49961 7.93727 15.498 12.1746 6.25956 7.38609 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 9.86445 10.5925 8.77254 10.5189 10.1358 6.73134 15.8985 10.4188 6.0258 9.13126 numMergedOcc 0
16 mol 261 unq 0 iso 0 dist 7.85381 5.09075 9.62828 8.36611 6.13416 7.15785 5.10045 9.50269 4.50761 6.41477 numMergedOcc 0
