0 mol 16 unq 0 iso 0 dist 8.62634 6.68517 6.05535 5.65481 9.04834 4.7319 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.62634 6.68517 6.05535 10.0664 8.17898 11.0958 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.3613 8.36524 12.6572 7.16404 6.85305 14.4841 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.34433 6.84521 12.3867 9.30759 9.58938 13.9655 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 9.34433 8.90024 12.0037 9.30759 9.58938 12.2321 numMergedOcc 0
5 mol 43 unq 2 iso 0 dist 9.34433 6.78532 6.9067 9.30759 9.58938 11.6828 numMergedOcc 0
6 mol 43 unq 3 iso 0 dist 5.63207 6.35333 5.90331 7.38819 9.58938 12.4545 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 8.71324 9.56181 9.73304 7.70414 9.10915 9.67592 numMergedOcc 0
8 mol 64 unq 1 iso 0 dist 8.71324 9.56181 9.73304 5.89729 7.02352 13.3406 numMergedOcc 0
9 mol 64 unq 2 iso 0 dist 9.5663 9.56181 5.59762 7.70414 5.54343 9.67592 numMergedOcc 0
10 mol 83 unq 0 iso 0 dist 9.48319 9.86416 15.2271 5.88392 7.77558 12.9183 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 5.84349 7.90775 4.33346 4.16047 8.26838 9.03572 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 5.84349 8.49531 10.3965 4.16047 8.26838 11.659 numMergedOcc 0
13 mol 102 unq 0 iso 0 dist 6.7095 8.84131 7.49575 5.26061 7.48277 12.0341 numMergedOcc 0
14 mol 102 unq 1 iso 0 dist 6.7095 8.84131 7.49575 8.90571 9.0361 7.36792 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 6.15949 6.99793 7.65733 6.49725 9.24515 12.6649 numMergedOcc 0
16 mol 114 unq 1 iso 0 dist 6.15949 6.71345 5.24877 6.49725 9.24515 7.5732 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 9.18707 8.64107 5.74878 4.82909 6.09472 4.99221 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 9.18707 9.50575 11.7723 4.82909 6.09472 11.2489 numMergedOcc 0
19 mol 115 unq 2 iso 0 dist 5.91786 8.64107 7.09627 4.82909 6.20658 4.99221 numMergedOcc 0
20 mol 115 unq 3 iso 0 dist 5.91786 8.64107 7.09627 6.68557 7.83568 11.5333 numMergedOcc 0
21 mol 115 unq 4 iso 0 dist 5.91786 9.50575 7.10772 4.82909 6.20658 11.2489 numMergedOcc 0
22 mol 115 unq 5 iso 0 dist 5.91786 9.50575 7.10772 6.68557 7.83568 5.11551 numMergedOcc 0
23 mol 189 unq 0 iso 0 dist 8.01521 8.59972 6.36139 5.56399 8.57361 10.4329 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 5.46484 8.95071 6.49831 9.62351 9.96011 14.3101 numMergedOcc 0
25 mol 236 unq 1 iso 0 dist 8.80671 7.49412 6.81625 7.47558 9.96011 11.6077 numMergedOcc 0
26 mol 241 unq 0 iso 0 dist 7.16232 6.90245 7.93809 5.3674 6.40592 7.4631 numMergedOcc 0
27 mol 261 unq 0 iso 0 dist 6.93654 9.80409 13.3163 6.39263 8.50313 8.45658 numMergedOcc 0
28 mol 261 unq 1 iso 0 dist 9.66298 9.80409 13.6041 6.39263 7.6414 8.45658 numMergedOcc 0
29 mol 273 unq 0 iso 0 dist 7.29081 9.79022 11.0966 12.0564 6.54753 17.4399 numMergedOcc 0
30 mol 281 unq 0 iso 0 dist 6.81536 9.37845 5.81338 7.23848 9.65665 14.518 numMergedOcc 0
31 mol 287 unq 0 iso 0 dist 4.98604 7.95849 5.10722 8.54773 7.13655 11.3696 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 4.98604 7.95849 5.10722 8.54773 7.13655 11.3696 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 4.98604 7.95849 5.10722 8.54773 7.13655 11.3696 numMergedOcc 0
