0 mol 79 unq 0 iso 0 dist 7.74131 7.06029 6.82396 10.0025 12.2455 9.04293 numMergedOcc 0
1 mol 79 unq 1 iso 0 dist 7.74131 7.06029 6.82396 6.35003 10.2188 4.78333 numMergedOcc 0
2 mol 81 unq 0 iso 0 dist 5.96486 9.53663 5.82911 7.58448 8.38883 8.96045 numMergedOcc 0
3 mol 113 unq 0 iso 0 dist 9.64281 9.86767 3.77247 7.09333 6.12348 4.30875 numMergedOcc 0
4 mol 120 unq 0 iso 0 dist 8.43293 8.03124 3.71884 4.22448 10.7222 9.98772 numMergedOcc 0
5 mol 168 unq 0 iso 0 dist 9.76722 6.48066 7.13766 9.43003 9.23064 7.0961 numMergedOcc 0
6 mol 168 unq 1 iso 0 dist 9.76722 6.48066 7.13766 8.01699 7.30338 8.21227 numMergedOcc 0
7 mol 168 unq 2 iso 0 dist 9.76722 6.48066 7.13766 9.98239 13.0959 6.53038 numMergedOcc 0
8 mol 169 unq 0 iso 0 dist 9.83308 9.58901 3.89732 7.0638 6.27683 4.11374 numMergedOcc 0
9 mol 169 unq 1 iso 0 dist 9.83308 7.33643 5.74428 14.6592 13.7802 9.06172 numMergedOcc 0
10 mol 169 unq 2 iso 0 dist 9.83308 7.33643 5.74428 14.9735 13.1732 8.93091 numMergedOcc 0
11 mol 169 unq 3 iso 0 dist 8.97159 7.33643 12.9566 14.6592 21.104 9.06172 numMergedOcc 0
12 mol 169 unq 4 iso 0 dist 8.97159 7.33643 12.9566 14.9735 19.969 8.93091 numMergedOcc 0
13 mol 169 unq 5 iso 0 dist 8.44483 7.50458 3.69097 6.22697 10.7469 7.65903 numMergedOcc 0
14 mol 169 unq 6 iso 0 dist 8.44483 5.79554 7.14832 6.22697 10.7469 5.97653 numMergedOcc 0
15 mol 169 unq 7 iso 0 dist 8.44483 4.22003 8.01356 6.22697 10.7469 7.75523 numMergedOcc 0
16 mol 169 unq 8 iso 0 dist 8.44483 7.78577 4.24401 8.55252 6.00783 8.6961 numMergedOcc 0
17 mol 169 unq 9 iso 0 dist 9.79864 7.50458 11.5623 6.22697 15.4495 7.65903 numMergedOcc 0
18 mol 169 unq 10 iso 0 dist 9.79864 5.79554 12.6041 6.22697 15.4495 5.97653 numMergedOcc 0
19 mol 169 unq 11 iso 0 dist 9.79864 4.22003 10.4049 6.22697 15.4495 7.75523 numMergedOcc 0
20 mol 169 unq 12 iso 0 dist 9.73241 7.50458 16.721 6.22697 15.034 7.65903 numMergedOcc 0
21 mol 169 unq 13 iso 0 dist 9.73241 5.79554 14.8989 6.22697 15.034 5.97653 numMergedOcc 0
22 mol 169 unq 14 iso 0 dist 9.73241 4.22003 11.6433 6.22697 15.034 7.75523 numMergedOcc 0
23 mol 278 unq 0 iso 0 dist 9.60643 9.93392 7.09039 3.86293 11.8288 9.67239 numMergedOcc 0
24 mol 278 unq 1 iso 0 dist 7.79408 9.93392 10.8254 3.86293 11.2735 9.67239 numMergedOcc 0
25 mol 285 unq 0 iso 0 dist 8.12306 6.73396 5.00843 6.01574 5.09181 7.73438 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 9.39409 9.40443 13.6065 8.85995 17.2198 8.32982 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 9.39409 9.40443 13.6065 8.85995 17.2198 8.32982 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 9.39409 9.40443 13.6065 8.85995 17.2198 8.32982 numMergedOcc 0
