0 mol 29 unq 0 iso 0 dist 7.71924 6.62021 7.98234 12.4023 6.2924 9.15151 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 7.83595 5.33828 9.07692 9.91056 10.6695 5.61656 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 7.83595 5.33828 9.07692 12.8411 10.6381 8.67487 numMergedOcc 0
3 mol 30 unq 2 iso 0 dist 7.83595 5.33828 9.07692 8.37503 6.40527 6.95343 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 7.00677 5.55066 9.81224 6.09782 5.29727 5.63261 numMergedOcc 0
5 mol 55 unq 0 iso 0 dist 9.30367 17.6197 8.64454 15.9417 9.41535 7.13536 numMergedOcc 0
6 mol 55 unq 1 iso 0 dist 6.67079 5.78109 8.64454 11.1405 9.41535 7.13536 numMergedOcc 0
7 mol 55 unq 2 iso 0 dist 7.14636 5.78109 6.59252 11.1405 5.83044 7.13536 numMergedOcc 0
8 mol 55 unq 3 iso 0 dist 9.53303 8.16723 6.59252 11.9016 5.83044 7.13536 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 9.27355 15.9568 8.91833 10.392 8.31041 9.33919 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 9.27355 15.9568 8.91833 6.30194 5.44275 9.79143 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 9.27355 15.9568 8.91833 18.5427 11.2674 6.43377 numMergedOcc 0
12 mol 86 unq 0 iso 0 dist 8.39947 4.6791 9.18352 10.0545 5.95257 9.46331 numMergedOcc 0
13 mol 88 unq 0 iso 0 dist 9.64551 9.11346 8.95194 10.751 6.07226 6.066 numMergedOcc 0
14 mol 88 unq 1 iso 0 dist 9.64551 9.11346 8.95194 15.3586 11.3835 9.36032 numMergedOcc 0
15 mol 88 unq 2 iso 0 dist 9.64551 9.11346 8.95194 16.8844 12.4322 8.3592 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 4.83134 6.79475 5.80662 9.14401 5.26273 6.05583 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 5.17734 5.49451 5.80662 5.97805 5.26273 6.05583 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 5.69763 6.28486 8.65631 13.1983 12.8467 7.61316 numMergedOcc 0
19 mol 194 unq 1 iso 0 dist 8.82165 14.302 8.65631 19.1668 12.8467 7.61316 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 8.93927 6.16807 8.13196 5.79186 11.2111 6.20349 numMergedOcc 0
21 mol 230 unq 0 iso 0 dist 6.88683 6.02175 7.63624 8.33847 6.87235 5.31963 numMergedOcc 0
22 mol 230 unq 1 iso 0 dist 6.88683 6.02175 7.63624 10.6587 5.4427 7.85632 numMergedOcc 0
23 mol 230 unq 2 iso 0 dist 7.43793 4.76236 7.63624 9.12305 6.87235 5.31963 numMergedOcc 0
24 mol 230 unq 3 iso 0 dist 7.43793 4.76236 7.63624 9.30906 5.4427 7.85632 numMergedOcc 0
25 mol 230 unq 4 iso 0 dist 8.4739 4.76236 9.95611 9.12305 9.94041 5.31963 numMergedOcc 0
26 mol 230 unq 5 iso 0 dist 8.4739 4.76236 9.95611 9.30906 5.52842 7.85632 numMergedOcc 0
27 mol 245 unq 0 iso 0 dist 8.69377 9.18706 7.21119 14.6948 10.8672 8.49651 numMergedOcc 0
28 mol 248 unq 0 iso 0 dist 8.52792 5.37477 6.43336 14.2649 10.9137 9.12664 numMergedOcc 0
29 mol 248 unq 1 iso 0 dist 8.52792 5.37477 6.43336 11.1716 5.35181 6.51383 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 6.23539 8.60963 9.25134 10.332 12.4605 9.78482 numMergedOcc 0
