0 mol 10 unq 0 iso 0 dist 9.56259 9.96463 11.9348 9.07663 6.07332 13.8267 15.2778 20.5405 9.99109 19.9673 numMergedOcc 0
1 mol 51 unq 0 iso 0 dist 9.66898 6.50216 12.6076 7.12423 12.4834 5.27155 10.8401 19.603 7.95419 9.06397 numMergedOcc 0
2 mol 103 unq 0 iso 0 dist 9.57953 6.67575 5.42278 4.99966 8.44658 6.35372 4.36597 8.1375 7.57822 7.55805 numMergedOcc 0
3 mol 139 unq 0 iso 0 dist 8.49892 8.27507 7.41954 6.34417 5.30274 10.3273 10.8123 15.9456 9.75151 16.5585 numMergedOcc 0
4 mol 218 unq 0 iso 0 dist 8.61427 6.2441 6.86057 7.0843 6.32514 9.92743 7.15853 11.074 4.61671 13.1458 numMergedOcc 0
5 mol 218 unq 1 iso 0 dist 8.61427 6.2441 6.86057 7.0843 6.32514 9.92743 5.7173 13.3613 8.44004 12.1227 numMergedOcc 0
6 mol 218 unq 2 iso 0 dist 8.61427 6.2441 6.86057 7.73315 9.20709 12.0573 7.15853 11.074 4.61671 14.0877 numMergedOcc 0
7 mol 218 unq 3 iso 0 dist 8.61427 6.2441 6.86057 7.73315 9.20709 12.0573 5.7173 13.3613 8.44004 13.0264 numMergedOcc 0
8 mol 218 unq 4 iso 0 dist 8.61427 6.2441 6.86057 6.9398 5.53181 8.31343 7.15853 11.074 4.61671 10.6908 numMergedOcc 0
9 mol 218 unq 5 iso 0 dist 8.61427 6.2441 6.86057 6.9398 5.53181 8.31343 5.7173 13.3613 8.44004 12.5172 numMergedOcc 0
10 mol 219 unq 0 iso 0 dist 7.13496 9.52151 14.8716 4.87446 4.95329 10.9246 7.00921 13.5635 4.67452 10.3945 numMergedOcc 0
11 mol 219 unq 1 iso 0 dist 7.13496 9.52151 14.8716 4.87446 4.95329 10.9246 10.3376 16.4922 9.86916 12.2725 numMergedOcc 0
12 mol 219 unq 2 iso 0 dist 7.13496 9.52151 14.8716 7.49235 4.26247 13.5876 7.00921 13.5635 4.67452 12.328 numMergedOcc 0
13 mol 219 unq 3 iso 0 dist 7.13496 9.52151 14.8716 7.49235 4.26247 13.5876 10.3376 16.4922 9.86916 17.5208 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 9.51177 9.46728 15.2081 8.59074 5.65577 16.5687 4.13744 11.8266 5.57184 11.7876 numMergedOcc 0
15 mol 249 unq 0 iso 0 dist 6.40339 7.279 5.34664 6.37672 9.9244 9.82483 5.4063 5.96492 4.46389 10.516 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 8.37512 9.4886 5.24482 5.73834 4.16729 8.31011 12.1075 13.2187 8.57305 14.6694 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 9.05363 5.98006 6.13878 8.06771 10.4985 5.71237 7.78289 13.3227 8.73077 11.4871 numMergedOcc 0
18 mol 259 unq 1 iso 0 dist 9.05363 5.98006 6.13878 8.06771 10.4985 5.71237 5.73217 12.4319 6.76656 6.96379 numMergedOcc 0
19 mol 259 unq 2 iso 0 dist 5.30455 7.97113 4.77489 9.12507 8.70769 13.3027 6.92619 8.79685 8.91916 14.9752 numMergedOcc 0
20 mol 259 unq 3 iso 0 dist 5.30455 5.22111 4.59239 9.12507 8.70769 12.3218 9.98638 13.4203 9.45077 18.9727 numMergedOcc 0
21 mol 259 unq 4 iso 0 dist 5.30455 5.22111 4.59239 9.12507 8.70769 12.3218 6.92619 8.79685 4.55368 14.9752 numMergedOcc 0
22 mol 259 unq 5 iso 0 dist 7.34794 7.97113 7.10624 9.12507 10.0253 13.3027 6.92619 8.06908 8.91916 14.9752 numMergedOcc 0
23 mol 259 unq 6 iso 0 dist 7.34794 5.22111 5.09929 9.12507 10.0253 12.3218 9.98638 13.9163 9.45077 18.9727 numMergedOcc 0
24 mol 259 unq 7 iso 0 dist 7.34794 5.22111 5.09929 9.12507 10.0253 12.3218 6.92619 8.06908 4.55368 14.9752 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 5.43053 3.90274 4.90213 8.12852 4.38226 5.73592 5.01049 7.66705 5.28417 10.3469 numMergedOcc 0
