0 mol 1 unq 0 iso 0 dist 9.72447 12.0811 5.74199 12.8758 5.55519 8.61411 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 7.52544 6.1691 7.02854 13.0583 8.04327 9.06225 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 8.60438 4.77259 6.6146 8.91055 4.59148 9.28585 numMergedOcc 0
3 mol 129 unq 0 iso 0 dist 9.83241 8.10347 7.07421 13.9359 5.0466 8.63018 numMergedOcc 0
4 mol 141 unq 0 iso 0 dist 8.04823 10.9571 8.56593 6.4822 3.56357 6.32669 numMergedOcc 0
5 mol 148 unq 0 iso 0 dist 6.17633 9.59882 9.71692 16.5435 14.778 9.22427 numMergedOcc 0
6 mol 148 unq 1 iso 0 dist 9.32264 9.435 9.71692 17.9836 14.778 9.22427 numMergedOcc 0
7 mol 150 unq 0 iso 0 dist 6.20295 9.57563 9.73708 16.6715 14.922 9.32504 numMergedOcc 0
8 mol 150 unq 1 iso 0 dist 9.34249 9.39127 9.73708 18.114 14.922 9.32504 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 9.99051 15.1546 9.94142 17.7062 10.2313 9.12583 numMergedOcc 0
10 mol 204 unq 0 iso 0 dist 9.12896 8.40223 7.00683 9.70166 5.55359 7.19213 numMergedOcc 0
11 mol 204 unq 1 iso 0 dist 9.12896 8.40223 7.00683 11.102 4.72843 5.67196 numMergedOcc 0
12 mol 204 unq 2 iso 0 dist 8.63667 10.3245 7.00683 12.6801 5.55359 7.19213 numMergedOcc 0
13 mol 204 unq 3 iso 0 dist 8.63667 10.3245 7.00683 12.4582 4.72843 5.67196 numMergedOcc 0
14 mol 211 unq 0 iso 0 dist 8.63677 14.0337 9.8921 16.6942 12.6613 7.38723 numMergedOcc 0
15 mol 212 unq 0 iso 0 dist 8.53152 13.207 9.26387 12.2251 7.5418 7.73701 numMergedOcc 0
16 mol 218 unq 0 iso 0 dist 6.35646 5.01938 4.61671 6.44877 7.15853 6.2441 numMergedOcc 0
17 mol 218 unq 1 iso 0 dist 5.59354 5.01938 8.44004 6.44877 5.7173 6.2441 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 8.4319 6.72716 9.59937 10.6911 6.54316 8.68803 numMergedOcc 0
19 mol 241 unq 0 iso 0 dist 9.82576 10.1581 9.174 14.6341 6.70277 8.15897 numMergedOcc 0
20 mol 245 unq 0 iso 0 dist 5.70624 11.4898 6.41862 11.2113 6.62389 8.91609 numMergedOcc 0
21 mol 245 unq 1 iso 0 dist 5.70624 11.4898 6.41862 10.5935 5.43086 6.58637 numMergedOcc 0
22 mol 245 unq 2 iso 0 dist 5.70624 13.484 8.69377 10.5935 5.43086 5.48167 numMergedOcc 0
23 mol 249 unq 0 iso 0 dist 8.59298 5.54639 4.46389 10.4216 5.4063 7.279 numMergedOcc 0
24 mol 249 unq 1 iso 0 dist 8.59298 5.54639 4.46389 12.993 5.26413 8.43448 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 9.98041 11.5702 6.76656 12.6191 5.73217 5.98006 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 9.72665 4.80106 9.98985 8.40448 12.8228 4.75866 numMergedOcc 0
27 mol 279 unq 1 iso 0 dist 9.72665 4.80106 9.98985 11.3847 8.51381 7.87072 numMergedOcc 0
