0 mol 0 unq 0 iso 0 dist 6.94181 5.76921 9.07223 11.0244 15.247 9.99338 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 6.94181 5.76921 9.07223 10.651 7.19817 8.13129 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 7.32392 7.20175 7.5706 10.1204 9.0379 6.28925 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 7.32392 7.20175 7.5706 11.2411 15.4949 8.70159 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 9.28932 8.50298 5.61656 13.0925 5.03351 8.67487 numMergedOcc 0
5 mol 30 unq 1 iso 0 dist 9.28932 8.50298 5.61656 6.83481 5.34368 6.95343 numMergedOcc 0
6 mol 30 unq 2 iso 0 dist 7.53042 7.22668 5.61656 11.9729 5.03351 8.67487 numMergedOcc 0
7 mol 30 unq 3 iso 0 dist 7.53042 7.22668 5.61656 11.534 5.34368 6.95343 numMergedOcc 0
8 mol 30 unq 4 iso 0 dist 6.83481 8.50298 6.95343 9.28932 5.34368 5.61656 numMergedOcc 0
9 mol 30 unq 5 iso 0 dist 6.83481 8.50298 6.95343 13.0925 6.89466 8.67487 numMergedOcc 0
10 mol 30 unq 6 iso 0 dist 7.47342 6.94189 7.27268 10.9555 5.5577 8.83766 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 8.124 16.278 9.79143 10.1112 5.4148 9.33919 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 8.124 16.278 9.79143 19.5696 13.3558 6.43377 numMergedOcc 0
13 mol 73 unq 2 iso 0 dist 8.16299 5.9581 6.43377 11.0108 14.9342 9.33919 numMergedOcc 0
14 mol 73 unq 3 iso 0 dist 8.16299 5.9581 6.43377 10.9082 13.3558 9.79143 numMergedOcc 0
15 mol 73 unq 4 iso 0 dist 8.27015 13.8631 6.43377 20.562 14.9342 9.33919 numMergedOcc 0
16 mol 73 unq 5 iso 0 dist 8.27015 13.8631 6.43377 17.327 13.3558 9.79143 numMergedOcc 0
17 mol 85 unq 0 iso 0 dist 6.56728 6.48722 5.62635 13.2962 6.9948 9.30021 numMergedOcc 0
18 mol 86 unq 0 iso 0 dist 7.35763 7.83371 7.73058 14.635 12.6999 6.81209 numMergedOcc 0
19 mol 86 unq 1 iso 0 dist 7.35763 7.83371 7.73058 14.5447 9.22735 8.54122 numMergedOcc 0
20 mol 86 unq 2 iso 0 dist 8.40609 11.4177 6.81209 18.2998 12.6999 7.73058 numMergedOcc 0
21 mol 86 unq 3 iso 0 dist 8.40609 11.4177 6.81209 14.0033 7.03817 8.54122 numMergedOcc 0
22 mol 100 unq 0 iso 0 dist 8.22596 5.37902 4.5985 12.2079 10.8586 8.20656 numMergedOcc 0
23 mol 110 unq 0 iso 0 dist 9.71948 5.64111 6.78225 11.3434 5.00116 9.11812 numMergedOcc 0
24 mol 110 unq 1 iso 0 dist 9.71948 5.64111 6.78225 11.1564 4.56913 6.2967 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 8.62648 10.2909 6.69217 17.5132 9.93257 9.70093 numMergedOcc 0
26 mol 213 unq 0 iso 0 dist 9.75141 13.512 8.96646 13.93 5.45334 8.29133 numMergedOcc 0
27 mol 219 unq 0 iso 0 dist 6.8424 10.7226 8.69579 14.4403 13.4387 5.40597 numMergedOcc 0
28 mol 219 unq 1 iso 0 dist 6.8424 10.7226 8.69579 11.254 10.7348 7.66784 numMergedOcc 0
29 mol 219 unq 2 iso 0 dist 6.8424 10.7226 8.69579 12.5982 6.74494 6.71733 numMergedOcc 0
30 mol 229 unq 0 iso 0 dist 5.00457 7.23814 7.38552 11.6872 7.9315 7.77578 numMergedOcc 0
31 mol 230 unq 0 iso 0 dist 5.62804 6.73176 5.31963 9.3619 5.46301 7.85632 numMergedOcc 0
32 mol 230 unq 1 iso 0 dist 9.3619 6.73176 7.85632 5.62804 5.46301 5.31963 numMergedOcc 0
33 mol 239 unq 0 iso 0 dist 6.83046 5.86234 5.45139 13.3769 12.7454 8.10769 numMergedOcc 0
34 mol 264 unq 0 iso 0 dist 6.85672 5.65753 8.47755 10.4883 7.07277 8.29556 numMergedOcc 0
