0 mol 11 unq 0 iso 0 dist 9.52695 6.65725 8.73067 9.07476 6.76736 4.79838 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.78754 6.35394 9.09091 9.04534 6.51674 5.25331 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.99751 10.7581 7.22361 10.3176 6.36636 6.99742 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 9.30674 11.3546 7.22361 12.6411 6.36636 6.99742 numMergedOcc 0
4 mol 26 unq 2 iso 0 dist 8.25567 10.6733 7.22361 13.4042 6.36636 6.99742 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 5.84625 10.3974 7.6481 15.0691 10.7828 8.55712 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 7.69638 4.07863 9.43355 4.90216 3.68327 7.92479 numMergedOcc 0
7 mol 59 unq 1 iso 0 dist 7.69638 4.07863 9.43355 9.84217 9.13939 7.86646 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.18898 10.8544 6.72712 10.7677 3.87825 5.32369 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 9.18898 10.4617 5.39745 10.7677 3.87825 7.03417 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 8.96382 4.7832 5.79343 10.7196 5.99273 7.93956 numMergedOcc 0
11 mol 114 unq 1 iso 0 dist 8.27794 5.28095 6.13559 8.66766 3.67473 8.61909 numMergedOcc 0
12 mol 116 unq 0 iso 0 dist 7.6005 5.79458 6.49383 8.24233 4.13755 6.28029 numMergedOcc 0
13 mol 116 unq 1 iso 0 dist 8.7583 9.91115 6.49383 10.1101 4.13755 6.28029 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 8.30496 4.06022 8.75562 9.48934 8.79381 9.68074 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 6.78469 4.06022 8.00449 9.48934 5.16197 9.68074 numMergedOcc 0
16 mol 141 unq 2 iso 0 dist 8.01453 6.47962 8.00449 6.41183 5.16197 9.68074 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 9.41148 6.17401 7.10413 9.67243 9.85068 8.49913 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 6.83113 5.95459 9.20749 9.82713 6.97575 9.85661 numMergedOcc 0
19 mol 278 unq 0 iso 0 dist 9.21145 10.3447 7.48235 12.7281 14.4818 9.94661 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 7.76945 4.26276 5.59555 9.1471 3.96271 7.77225 numMergedOcc 0
21 mol 287 unq 1 iso 0 dist 7.76945 4.26276 5.59555 7.84189 5.39801 5.50067 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 7.76945 4.26276 5.59555 9.1471 3.96271 7.77225 numMergedOcc 0
23 mol 288 unq 1 iso 0 dist 7.76945 4.26276 5.59555 7.84189 5.39801 5.50067 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 7.76945 4.26276 5.59555 9.1471 3.96271 7.77225 numMergedOcc 0
25 mol 289 unq 1 iso 0 dist 7.76945 4.26276 5.59555 7.84189 5.39801 5.50067 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 6.60049 7.69175 5.7131 9.52066 4.30125 3.93401 numMergedOcc 0
