0 mol 61 unq 0 iso 0 dist 9.67403 15.8202 7.28917 8.24748 8.30431 14.4616 4.90701 9.62468 16.7918 6.32949 numMergedOcc 0
1 mol 61 unq 0 iso 1 dist 7.28917 15.8202 9.67403 14.4616 8.30431 8.24748 16.7918 9.62468 4.90701 6.32949 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 5.58346 9.96948 9.66744 7.53682 5.39171 14.7261 4.69583 6.89722 8.59095 10.5627 numMergedOcc 0
3 mol 73 unq 0 iso 1 dist 9.66744 9.96948 5.58346 14.7261 5.39171 7.53682 8.59095 6.89722 4.69583 10.5627 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 6.78043 4.13723 5.74364 8.6267 8.67865 4.68995 7.17015 4.98104 4.52119 5.1767 numMergedOcc 0
5 mol 92 unq 0 iso 1 dist 5.74364 4.13723 6.78043 4.68995 8.67865 8.6267 4.52119 4.98104 7.17015 5.1767 numMergedOcc 0
6 mol 108 unq 0 iso 0 dist 5.52402 7.80411 6.79804 4.2179 9.32474 10.5919 4.93762 7.29462 12.0414 5.60268 numMergedOcc 0
7 mol 108 unq 0 iso 1 dist 6.79804 7.80411 5.52402 10.5919 9.32474 4.2179 12.0414 7.29462 4.93762 5.60268 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 7.66832 6.14668 8.11083 9.79203 8.59182 5.26073 9.47324 8.21889 12.7688 12.4009 numMergedOcc 0
9 mol 109 unq 0 iso 1 dist 8.11083 6.14668 7.66832 5.26073 8.59182 9.79203 12.7688 8.21889 9.47324 12.4009 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 7.66832 6.14668 8.11083 9.79203 8.59182 5.26073 4.93112 9.74643 10.5733 12.8701 numMergedOcc 0
11 mol 109 unq 1 iso 1 dist 8.11083 6.14668 7.66832 5.26073 8.59182 9.79203 10.5733 9.74643 4.93112 12.8701 numMergedOcc 0
12 mol 109 unq 2 iso 0 dist 7.66832 6.14668 8.11083 9.79203 8.59182 5.26073 4.48038 6.86702 4.76017 5.95831 numMergedOcc 0
13 mol 109 unq 2 iso 1 dist 8.11083 6.14668 7.66832 5.26073 8.59182 9.79203 4.76017 6.86702 4.48038 5.95831 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 6.85651 7.57921 7.03858 8.75242 9.07294 6.45333 4.84607 8.84018 11.981 13.1243 numMergedOcc 0
15 mol 133 unq 0 iso 1 dist 7.03858 7.57921 6.85651 6.45333 9.07294 8.75242 11.981 8.84018 4.84607 13.1243 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 6.85651 7.57921 7.03858 14.0828 7.50126 11.5586 4.84607 8.84018 11.981 15.9524 numMergedOcc 0
17 mol 133 unq 1 iso 1 dist 7.03858 7.57921 6.85651 11.5586 7.50126 14.0828 11.981 8.84018 4.84607 15.9524 numMergedOcc 0
18 mol 183 unq 0 iso 0 dist 9.92635 3.75614 7.85507 13.34 6.21267 9.98606 10.0008 7.31181 9.95614 11.4393 numMergedOcc 0
19 mol 183 unq 0 iso 1 dist 7.85507 3.75614 9.92635 9.98606 6.21267 13.34 9.95614 7.31181 10.0008 11.4393 numMergedOcc 0
20 mol 183 unq 1 iso 0 dist 9.92635 3.75614 7.85507 13.9426 7.41743 11.9935 10.0008 7.31181 9.95614 6.81609 numMergedOcc 0
21 mol 183 unq 1 iso 1 dist 7.85507 3.75614 9.92635 11.9935 7.41743 13.9426 9.95614 7.31181 10.0008 6.81609 numMergedOcc 0
22 mol 197 unq 0 iso 0 dist 5.79753 10.6986 7.56537 12.1167 8.51118 5.79567 13.0113 8.64255 4.57437 8.58314 numMergedOcc 0
23 mol 197 unq 0 iso 1 dist 7.56537 10.6986 5.79753 5.79567 8.51118 12.1167 4.57437 8.64255 13.0113 8.58314 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 5.22111 5.25523 8.53598 9.98638 9.45077 12.9823 5.41945 7.93997 10.2837 8.63445 numMergedOcc 0
25 mol 259 unq 0 iso 1 dist 8.53598 5.25523 5.22111 12.9823 9.45077 9.98638 10.2837 7.93997 5.41945 8.63445 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 5.22111 5.25523 8.53598 6.92619 4.55368 11.3266 5.41945 7.93997 10.2837 6.18571 numMergedOcc 0
27 mol 259 unq 1 iso 1 dist 8.53598 5.25523 5.22111 11.3266 4.55368 6.92619 10.2837 7.93997 5.41945 6.18571 numMergedOcc 0
28 mol 264 unq 0 iso 0 dist 8.05522 14.4112 9.8799 11.7681 7.61232 4.93509 4.75604 6.28512 12.5841 8.70128 numMergedOcc 0
29 mol 264 unq 0 iso 1 dist 9.8799 14.4112 8.05522 4.93509 7.61232 11.7681 12.5841 6.28512 4.75604 8.70128 numMergedOcc 0
30 mol 264 unq 1 iso 0 dist 8.05522 14.4112 9.8799 11.7681 7.61232 4.93509 5.428 9.01085 11.079 8.57403 numMergedOcc 0
31 mol 264 unq 1 iso 1 dist 9.8799 14.4112 8.05522 4.93509 7.61232 11.7681 11.079 9.01085 5.428 8.57403 numMergedOcc 0
