0 mol 7 unq 0 iso 0 dist 5.72491 10.515 7.45262 8.72114 10.1959 9.97624 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.88043 6.06176 7.45262 10.3148 10.1959 9.97624 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.80762 6.06176 6.96586 10.3148 13.9514 9.97624 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 9.78006 5.60154 8.04924 9.62394 7.28672 9.57198 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 6.6492 4.70708 8.5404 9.01548 9.12941 6.63839 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 5.69955 9.87119 7.61055 10.177 5.30297 7.3022 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 8.6385 4.74747 7.61055 7.36856 5.30297 7.3022 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 7.71107 7.59143 9.41723 12.9634 7.97939 9.10794 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 6.34525 5.31367 8.06525 6.84011 8.51024 8.809 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 5.72642 11.7126 9.9928 12.13 9.18958 5.60389 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 7.99857 7.36192 5.85818 14.2293 11.7884 7.26955 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 8.56342 10.6679 5.85818 17.9198 11.7884 7.26955 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 8.41611 5.44503 6.40901 9.14266 5.99865 9.30424 numMergedOcc 0
13 mol 143 unq 1 iso 0 dist 7.63338 6.01455 8.1582 7.78652 11.5146 6.46089 numMergedOcc 0
14 mol 143 unq 2 iso 0 dist 7.63338 5.44503 9.40626 9.14266 11.2236 9.30424 numMergedOcc 0
15 mol 143 unq 3 iso 0 dist 7.25673 6.01455 7.88655 7.78652 6.60479 6.46089 numMergedOcc 0
16 mol 148 unq 0 iso 0 dist 9.02318 12.144 8.12589 13.4961 7.23332 8.73468 numMergedOcc 0
17 mol 148 unq 1 iso 0 dist 9.02318 12.144 8.12589 10.8708 7.89336 9.73927 numMergedOcc 0
18 mol 148 unq 2 iso 0 dist 9.74542 10.2478 8.12589 9.91993 7.23332 8.73468 numMergedOcc 0
19 mol 148 unq 3 iso 0 dist 9.74542 10.2478 8.12589 6.22055 7.89336 9.73927 numMergedOcc 0
20 mol 148 unq 4 iso 0 dist 7.97543 6.29254 8.12589 12.1227 7.23332 8.73468 numMergedOcc 0
21 mol 148 unq 5 iso 0 dist 7.97543 6.29254 8.12589 11.2961 7.89336 9.73927 numMergedOcc 0
22 mol 150 unq 0 iso 0 dist 9.6606 10.2318 8.11592 9.96691 7.35366 8.73558 numMergedOcc 0
23 mol 150 unq 1 iso 0 dist 9.6606 10.2318 8.11592 6.14675 7.86976 9.66129 numMergedOcc 0
24 mol 150 unq 2 iso 0 dist 7.85526 6.25747 8.11592 12.1516 7.35366 8.73558 numMergedOcc 0
25 mol 150 unq 3 iso 0 dist 7.85526 6.25747 8.11592 11.2313 7.86976 9.66129 numMergedOcc 0
26 mol 150 unq 4 iso 0 dist 8.94552 12.154 8.11592 13.6809 7.35366 8.73558 numMergedOcc 0
27 mol 150 unq 5 iso 0 dist 8.94552 12.154 8.11592 10.9703 7.86976 9.66129 numMergedOcc 0
28 mol 156 unq 0 iso 0 dist 7.73169 5.07967 7.04913 7.30357 8.40261 7.30946 numMergedOcc 0
29 mol 158 unq 0 iso 0 dist 7.88319 6.63727 6.39981 10.1759 10.3886 9.6096 numMergedOcc 0
30 mol 159 unq 0 iso 0 dist 7.25742 4.57561 7.13269 8.4858 7.97232 5.9032 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 6.51749 10.0524 9.52987 10.6908 11.1881 6.32777 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 7.20392 5.95965 9.52987 11.3325 11.1881 6.32777 numMergedOcc 0
33 mol 186 unq 0 iso 0 dist 6.72641 10.5203 9.59034 7.76163 6.71237 9.84492 numMergedOcc 0
34 mol 188 unq 0 iso 0 dist 8.57261 12.0548 7.48284 8.10214 5.87427 9.33696 numMergedOcc 0
35 mol 189 unq 0 iso 0 dist 8.56355 10.3197 9.6013 13.5398 6.16643 9.33695 numMergedOcc 0
36 mol 189 unq 1 iso 0 dist 8.56355 11.3081 8.32712 13.5398 6.16643 6.31466 numMergedOcc 0
37 mol 192 unq 0 iso 0 dist 7.24199 5.71262 8.53433 8.77999 3.86183 7.33225 numMergedOcc 0
38 mol 194 unq 0 iso 0 dist 6.26839 15.9311 9.77862 12.4952 7.50057 9.3402 numMergedOcc 0
39 mol 194 unq 1 iso 0 dist 8.12346 13.7758 9.77862 15.1649 7.50057 9.3402 numMergedOcc 0
40 mol 194 unq 2 iso 0 dist 8.83356 5.38925 9.77862 6.72379 7.50057 9.3402 numMergedOcc 0
41 mol 194 unq 3 iso 0 dist 8.2654 14.2415 9.77862 13.2138 7.50057 9.3402 numMergedOcc 0
42 mol 195 unq 0 iso 0 dist 6.60567 13.6975 9.79691 17.8873 11.4252 9.82588 numMergedOcc 0
43 mol 195 unq 1 iso 0 dist 7.62942 6.08211 9.79691 11.9628 11.4252 9.82588 numMergedOcc 0
44 mol 225 unq 0 iso 0 dist 8.87609 5.06326 7.29542 10.281 6.59663 7.73748 numMergedOcc 0
45 mol 227 unq 0 iso 0 dist 8.03442 6.43754 7.1372 5.41321 4.59123 7.57454 numMergedOcc 0
46 mol 238 unq 0 iso 0 dist 6.66971 13.0842 9.42618 10.784 6.84212 8.81629 numMergedOcc 0
47 mol 238 unq 1 iso 0 dist 6.66971 13.0842 9.42618 7.57812 4.77308 6.87131 numMergedOcc 0
48 mol 238 unq 2 iso 0 dist 6.66971 13.0842 9.42618 8.69104 10.2777 9.69818 numMergedOcc 0
49 mol 238 unq 3 iso 0 dist 6.4398 15.3074 9.42618 12.2731 6.84212 8.81629 numMergedOcc 0
50 mol 238 unq 4 iso 0 dist 6.4398 15.3074 9.42618 10.1217 4.77308 6.87131 numMergedOcc 0
51 mol 238 unq 5 iso 0 dist 6.4398 15.3074 9.42618 13.492 10.2777 9.69818 numMergedOcc 0
52 mol 238 unq 6 iso 0 dist 7.32982 8.85181 9.42618 12.6066 6.84212 8.81629 numMergedOcc 0
53 mol 238 unq 7 iso 0 dist 7.32982 8.85181 9.42618 9.24557 4.77308 6.87131 numMergedOcc 0
54 mol 238 unq 8 iso 0 dist 7.32982 8.85181 9.42618 12.9364 10.2777 9.69818 numMergedOcc 0
55 mol 259 unq 0 iso 0 dist 8.55558 5.79468 6.39918 7.08526 6.31909 8.71497 numMergedOcc 0
56 mol 259 unq 1 iso 0 dist 8.59697 5.31048 6.39918 10.4552 6.31909 8.71497 numMergedOcc 0
57 mol 277 unq 0 iso 0 dist 6.57903 9.92201 7.25677 10.5329 5.43373 6.43034 numMergedOcc 0
58 mol 277 unq 1 iso 0 dist 9.65707 7.29899 7.25677 11.3516 5.43373 6.43034 numMergedOcc 0
59 mol 277 unq 2 iso 0 dist 9.3936 6.21891 6.73126 12.3547 7.17477 6.43034 numMergedOcc 0
