0 mol 26 unq 0 iso 0 dist 8.06929 4.76147 5.69955 13.5746 7.61055 9.87119 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.06929 12.2574 8.6385 13.5746 7.61055 4.74747 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 8.58514 5.93227 5.69955 10.7796 7.61055 9.87119 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 8.58514 12.8213 8.6385 10.7796 7.61055 4.74747 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 9.10096 11.5552 6.77886 10.1898 5.86571 10.9467 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 7.46327 12.3373 9.81831 4.55399 7.85041 8.58164 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 7.46327 11.6592 9.12858 4.55399 7.85041 9.67788 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 7.46327 6.09816 9.4523 4.55399 7.85041 5.33106 numMergedOcc 0
8 mol 94 unq 0 iso 0 dist 9.43351 4.28796 8.16733 8.59595 5.18655 8.20144 numMergedOcc 0
9 mol 94 unq 1 iso 0 dist 9.43351 6.14092 9.97569 8.59595 5.18655 11.997 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 8.28541 4.41283 7.71107 4.10604 9.41723 7.59143 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 9.60646 8.07266 5.49226 12.0852 5.1101 5.08802 numMergedOcc 0
12 mol 147 unq 1 iso 0 dist 9.60646 8.07266 5.49226 14.0758 7.01133 10.1972 numMergedOcc 0
13 mol 147 unq 2 iso 0 dist 9.60646 5.83569 6.28351 12.0852 5.1101 8.59354 numMergedOcc 0
14 mol 147 unq 3 iso 0 dist 9.60646 5.83569 6.28351 14.0758 7.01133 8.54341 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 6.96911 8.96288 7.73169 5.5355 7.04913 5.07967 numMergedOcc 0
16 mol 178 unq 0 iso 0 dist 8.56251 4.51874 4.92088 6.03496 5.98771 5.25267 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 9.67802 18.5326 9.83476 10.3571 7.94153 13.1933 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 9.18314 7.37734 9.83476 10.5919 7.94153 13.1933 numMergedOcc 0
19 mol 195 unq 0 iso 0 dist 9.96728 7.24106 6.60567 12.5054 9.79691 13.6975 numMergedOcc 0
20 mol 195 unq 1 iso 0 dist 9.96728 12.7239 7.62942 12.5054 9.79691 6.08211 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 7.44979 10.4409 8.0144 9.30421 8.50907 14.8202 numMergedOcc 0
22 mol 204 unq 1 iso 0 dist 7.44979 11.4774 7.80841 9.30421 8.50907 7.0418 numMergedOcc 0
23 mol 204 unq 2 iso 0 dist 9.4236 6.10425 8.0144 12.9408 8.50907 14.8202 numMergedOcc 0
24 mol 204 unq 3 iso 0 dist 9.4236 7.34669 7.80841 12.9408 8.50907 7.0418 numMergedOcc 0
25 mol 218 unq 0 iso 0 dist 7.84953 6.66456 6.29367 10.2089 6.86795 6.05563 numMergedOcc 0
26 mol 218 unq 1 iso 0 dist 7.84953 6.66456 6.29367 4.40481 6.61099 8.36122 numMergedOcc 0
27 mol 218 unq 2 iso 0 dist 7.84953 5.09263 5.76954 10.2089 6.86795 9.68444 numMergedOcc 0
28 mol 218 unq 3 iso 0 dist 7.84953 5.09263 5.76954 4.40481 6.61099 7.47048 numMergedOcc 0
29 mol 218 unq 4 iso 0 dist 7.84953 10.1782 9.20961 10.2089 6.86795 11.4148 numMergedOcc 0
30 mol 218 unq 5 iso 0 dist 7.84953 10.1782 9.20961 4.40481 6.61099 12.7963 numMergedOcc 0
31 mol 225 unq 0 iso 0 dist 7.10883 6.7444 6.6561 4.42378 5.13453 8.69249 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 8.24118 10.2134 6.66971 4.40826 9.42618 13.0842 numMergedOcc 0
33 mol 238 unq 1 iso 0 dist 8.24118 12.8163 6.4398 4.40826 9.42618 15.3074 numMergedOcc 0
34 mol 238 unq 2 iso 0 dist 8.24118 5.88384 7.32982 4.40826 9.42618 8.85181 numMergedOcc 0
35 mol 238 unq 3 iso 0 dist 9.08573 5.37535 5.64181 13.6191 8.6597 10.4664 numMergedOcc 0
36 mol 238 unq 4 iso 0 dist 9.08573 5.37535 5.64181 15.696 7.47235 11.2717 numMergedOcc 0
37 mol 238 unq 5 iso 0 dist 9.08573 5.37535 5.64181 10.0858 6.44735 5.17471 numMergedOcc 0
38 mol 238 unq 6 iso 0 dist 9.08573 5.37535 5.64181 6.29509 5.91208 5.03393 numMergedOcc 0
39 mol 238 unq 7 iso 0 dist 9.08573 4.14233 7.61393 13.6191 8.6597 13.3539 numMergedOcc 0
40 mol 238 unq 8 iso 0 dist 9.08573 4.14233 7.61393 15.696 7.47235 14.7509 numMergedOcc 0
41 mol 238 unq 9 iso 0 dist 9.08573 4.14233 7.61393 10.0858 6.44735 10.7999 numMergedOcc 0
42 mol 238 unq 10 iso 0 dist 9.08573 4.14233 7.61393 6.29509 5.91208 5.49433 numMergedOcc 0
43 mol 252 unq 0 iso 0 dist 7.82138 7.66494 6.11473 8.80846 6.57207 4.23801 numMergedOcc 0
44 mol 277 unq 0 iso 0 dist 9.70241 4.627 6.57903 10.4764 7.25677 9.92201 numMergedOcc 0
45 mol 277 unq 1 iso 0 dist 9.70241 5.01996 9.65707 10.4764 7.25677 7.29899 numMergedOcc 0
46 mol 279 unq 0 iso 0 dist 8.31175 9.86167 8.29305 5.06556 8.23056 5.3373 numMergedOcc 0
47 mol 279 unq 1 iso 0 dist 8.31175 9.59818 6.43341 5.06556 8.23056 7.18967 numMergedOcc 0
48 mol 282 unq 0 iso 0 dist 8.64036 4.59315 5.23193 10.945 9.96468 7.30164 numMergedOcc 0
49 mol 282 unq 1 iso 0 dist 8.64036 4.59315 5.23193 12.1895 9.59817 8.36249 numMergedOcc 0
