0 mol 7 unq 0 iso 0 dist 9.60499 6.7985 6.55304 9.0379 10.6581 9.68596 13.2603 15.9584 13.0969 6.36911 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 9.62879 7.18019 4.36226 8.4069 8.96553 8.53529 13.3876 8.27181 11.4716 8.33604 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 8.38064 7.07399 4.29582 11.0528 9.88835 5.89412 10.2062 6.29685 6.19131 9.29358 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 7.20519 7.75618 4.96411 7.67038 10.4091 8.40416 7.82528 10.4988 11.4087 6.20943 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 8.4674 8.40416 9.74255 7.67038 4.54938 7.75618 13.4721 10.9543 6.2337 8.78293 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 8.4674 8.40416 9.74255 7.67038 4.54938 7.75618 14.6255 6.55187 14.4867 8.23643 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 8.4674 8.40416 9.74255 7.67038 4.54938 7.75618 6.20943 5.14627 11.4087 7.82528 numMergedOcc 0
7 mol 19 unq 4 iso 0 dist 8.4674 6.41575 4.64838 5.80928 4.51865 6.41423 9.58539 6.74265 5.90856 8.58657 numMergedOcc 0
8 mol 19 unq 5 iso 0 dist 4.54938 7.75618 9.74255 7.67038 8.4674 8.40416 7.82528 5.14627 11.4087 6.20943 numMergedOcc 0
9 mol 19 unq 6 iso 0 dist 4.54938 6.41575 4.97119 5.80928 6.864 6.41423 9.58539 5.5841 5.90856 8.58657 numMergedOcc 0
10 mol 19 unq 7 iso 0 dist 7.82074 6.41575 6.01808 5.80928 11.0366 6.41423 9.58539 7.42082 5.90856 8.58657 numMergedOcc 0
11 mol 19 unq 8 iso 0 dist 4.51865 8.40416 7.08342 7.67038 6.864 7.75618 13.4721 11.4401 6.2337 8.78293 numMergedOcc 0
12 mol 19 unq 9 iso 0 dist 4.51865 8.40416 7.08342 7.67038 6.864 7.75618 14.6255 12.3093 14.4867 8.23643 numMergedOcc 0
13 mol 19 unq 10 iso 0 dist 4.51865 8.40416 7.08342 7.67038 6.864 7.75618 6.20943 4.69858 11.4087 7.82528 numMergedOcc 0
14 mol 19 unq 11 iso 0 dist 6.864 7.75618 7.08342 7.67038 4.51865 8.40416 7.82528 4.69858 11.4087 6.20943 numMergedOcc 0
15 mol 24 unq 0 iso 0 dist 8.86116 8.60554 8.52463 10.0952 6.86014 7.29868 12.4274 5.39241 13.719 9.75144 numMergedOcc 0
16 mol 24 unq 1 iso 0 dist 8.38394 8.60554 12.3994 10.0952 12.5077 7.29868 12.4274 7.84982 13.719 9.75144 numMergedOcc 0
17 mol 24 unq 2 iso 0 dist 5.54419 8.4051 5.11617 15.5315 11.0194 7.29868 20.8959 16.6402 13.719 9.75144 numMergedOcc 0
18 mol 24 unq 3 iso 0 dist 7.36323 8.4051 13.2229 15.5315 20.3888 7.29868 20.8959 24.3982 13.719 9.75144 numMergedOcc 0
19 mol 25 unq 0 iso 0 dist 7.57578 7.92503 6.11127 10.6808 13.7311 8.6653 16.7035 17.5285 12.9735 7.685 numMergedOcc 0
20 mol 25 unq 1 iso 0 dist 7.17969 7.92503 5.30154 10.6808 12.9968 8.6653 16.7035 18.1526 12.9735 7.685 numMergedOcc 0
21 mol 58 unq 0 iso 0 dist 6.86465 9.92355 5.78774 5.30792 6.62496 5.93884 11.4118 4.67832 5.27642 9.64665 numMergedOcc 0
22 mol 58 unq 1 iso 0 dist 6.86465 9.92355 5.78774 5.35073 6.35756 7.68678 8.63333 6.47744 12.0055 8.89374 numMergedOcc 0
23 mol 58 unq 2 iso 0 dist 6.62496 5.93884 5.78774 5.30792 6.86465 9.92355 11.5023 6.47744 12.0055 8.63333 numMergedOcc 0
24 mol 58 unq 3 iso 0 dist 6.62496 5.93884 5.78774 4.81926 6.35756 7.68678 11.5023 6.47744 12.0055 8.89374 numMergedOcc 0
25 mol 58 unq 4 iso 0 dist 6.35756 7.68678 5.78774 5.35073 6.86465 9.92355 8.89374 6.47744 12.0055 8.63333 numMergedOcc 0
26 mol 58 unq 5 iso 0 dist 6.35756 7.68678 5.78774 4.81926 6.62496 5.93884 9.66798 4.67832 5.27642 9.64665 numMergedOcc 0
27 mol 100 unq 0 iso 0 dist 9.60661 7.01812 5.80144 5.88134 6.65086 8.30845 6.58204 10.9608 10.0891 7.75343 numMergedOcc 0
28 mol 100 unq 1 iso 0 dist 7.17106 7.01812 8.4128 5.88134 10.5134 8.30845 6.58204 5.01145 10.0891 7.75343 numMergedOcc 0
29 mol 100 unq 2 iso 0 dist 9.35224 7.01812 10.0456 5.88134 6.56369 8.30845 6.58204 5.69137 10.0891 7.75343 numMergedOcc 0
30 mol 100 unq 3 iso 0 dist 7.47343 8.30845 12.2861 5.88134 12.0662 7.01812 7.75343 15.209 10.0891 6.58204 numMergedOcc 0
31 mol 100 unq 4 iso 0 dist 6.65086 8.30845 5.80144 5.88134 9.60661 7.01812 7.75343 10.9608 10.0891 6.58204 numMergedOcc 0
32 mol 100 unq 5 iso 0 dist 6.56369 8.30845 10.0456 5.88134 9.35224 7.01812 7.75343 5.69137 10.0891 6.58204 numMergedOcc 0
33 mol 100 unq 6 iso 0 dist 9.30209 8.30845 6.70236 5.88134 10.5853 7.01812 7.75343 9.21622 10.0891 6.58204 numMergedOcc 0
34 mol 101 unq 0 iso 0 dist 6.57035 6.98314 5.53055 6.69637 10.3881 7.61685 10.6222 12.7059 7.83985 9.57816 numMergedOcc 0
35 mol 130 unq 0 iso 0 dist 9.28393 7.96646 6.73735 10.0969 14.2551 7.88805 13.0127 12.1776 6.08911 6.79146 numMergedOcc 0
36 mol 130 unq 1 iso 0 dist 9.28393 7.96646 6.73735 10.7116 12.2375 7.90048 13.0127 12.1776 6.08911 7.66168 numMergedOcc 0
37 mol 130 unq 2 iso 0 dist 9.28393 7.96646 6.73735 10.7116 12.2375 7.90048 17.1695 13.9379 10.0581 9.12581 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 9.89303 5.83771 7.41674 5.79898 6.54501 7.80532 12.0514 10.1448 14.1488 8.6355 numMergedOcc 0
39 mol 156 unq 0 iso 0 dist 7.44554 9.47433 11.9952 5.76755 10.4649 6.30021 9.36805 6.29785 10.0003 8.47155 numMergedOcc 0
40 mol 156 unq 1 iso 0 dist 7.66148 7.90267 6.03934 5.56175 12.0598 9.44367 13.1853 15.7866 10.143 9.36805 numMergedOcc 0
41 mol 156 unq 2 iso 0 dist 8.94056 7.90267 5.4555 5.56175 7.44554 9.44367 13.1853 6.29785 10.143 9.36805 numMergedOcc 0
42 mol 181 unq 0 iso 0 dist 9.1374 6.2479 6.6251 8.88798 5.98885 7.99195 10.2276 5.4601 4.69841 7.20046 numMergedOcc 0
43 mol 181 unq 1 iso 0 dist 9.1374 6.2479 6.6251 8.88798 5.98885 7.99195 10.7636 10.0524 7.23063 7.13543 numMergedOcc 0
44 mol 181 unq 2 iso 0 dist 8.03334 6.2479 7.81713 8.88798 10.7062 7.99195 10.2276 10.7112 4.69841 7.20046 numMergedOcc 0
45 mol 181 unq 3 iso 0 dist 8.03334 6.2479 7.81713 8.88798 10.7062 7.99195 10.7636 7.07409 7.23063 7.13543 numMergedOcc 0
46 mol 181 unq 4 iso 0 dist 7.81386 9.39829 7.20191 8.85576 7.63312 6.41453 11.4148 4.80231 6.05477 6.93764 numMergedOcc 0
47 mol 181 unq 5 iso 0 dist 7.63312 6.41453 7.20191 8.85576 7.81386 9.39829 10.1232 6.7991 7.30555 4.93785 numMergedOcc 0
48 mol 232 unq 0 iso 0 dist 8.27212 9.40808 4.9377 6.56633 10.5803 8.50102 11.5589 14.5897 10.9886 7.07392 numMergedOcc 0
49 mol 235 unq 0 iso 0 dist 5.4638 9.55668 7.60081 9.89669 11.3258 6.95126 10.7117 10.6981 4.29892 5.65339 numMergedOcc 0
50 mol 238 unq 0 iso 0 dist 5.72887 9.24557 14.7883 10.0191 13.5431 7.57812 10.7386 14.2103 10.3147 9.90142 numMergedOcc 0
51 mol 274 unq 0 iso 0 dist 7.56915 8.52587 5.29529 11.3308 11.3168 6.39866 12.5979 6.68358 4.60275 9.19234 numMergedOcc 0
