0 mol 26 unq 0 iso 0 dist 9.97991 5.60099 9.41425 10.7414 14.8703 8.28202 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 9.6867 7.431 6.31089 8.91922 6.5312 9.74532 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 5.13138 7.431 7.07502 8.91922 4.45307 9.74532 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 9.60216 8.11492 8.48468 16.408 9.96416 9.74532 numMergedOcc 0
4 mol 28 unq 3 iso 0 dist 6.62196 6.51048 5.47728 6.42785 5.7604 7.08766 numMergedOcc 0
5 mol 28 unq 4 iso 0 dist 6.62196 4.18951 5.39651 6.42785 5.7604 4.82199 numMergedOcc 0
6 mol 28 unq 5 iso 0 dist 7.61351 10.1563 8.48468 16.3958 9.96416 9.74532 numMergedOcc 0
7 mol 28 unq 6 iso 0 dist 9.6147 8.04432 8.48468 13.1492 9.96416 9.74532 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 6.49242 4.61081 6.62879 5.19407 3.76156 6.79423 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 8.09408 4.24482 5.72961 6.2753 4.06365 4.18248 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 5.89661 5.35225 6.46217 10.866 6.15015 9.66837 numMergedOcc 0
11 mol 111 unq 0 iso 0 dist 4.86701 9.05868 4.72339 8.69371 4.26808 4.91212 numMergedOcc 0
12 mol 111 unq 1 iso 0 dist 4.86701 9.05868 4.72339 14.379 10.1254 9.74162 numMergedOcc 0
13 mol 111 unq 2 iso 0 dist 4.86701 9.16288 7.21505 8.69371 4.26808 9.34782 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 7.61392 5.51628 4.48699 11.7885 4.9293 7.53342 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 9.13081 7.67738 4.48699 7.382 4.9293 7.53342 numMergedOcc 0
16 mol 147 unq 0 iso 0 dist 9.95533 4.60169 7.19893 8.92048 7.88487 5.19116 numMergedOcc 0
17 mol 147 unq 1 iso 0 dist 9.95533 4.60169 7.19893 11.373 8.40786 8.71702 numMergedOcc 0
18 mol 147 unq 2 iso 0 dist 7.94147 11.3679 7.19893 11.3211 7.88487 5.19116 numMergedOcc 0
19 mol 147 unq 3 iso 0 dist 7.94147 11.3679 7.19893 8.84926 8.40786 8.71702 numMergedOcc 0
20 mol 250 unq 0 iso 0 dist 9.84682 4.73998 7.5999 10.5052 6.28121 9.81716 numMergedOcc 0
21 mol 250 unq 1 iso 0 dist 8.26719 14.6394 7.5999 11.8583 6.28121 9.81716 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 8.72947 5.37143 6.3738 8.44543 4.30218 8.66299 numMergedOcc 0
