0 mol 12 unq 0 iso 0 dist 5.44478 9.41745 6.9065 5.70264 8.15864 9.75368 numMergedOcc 0
1 mol 22 unq 0 iso 0 dist 7.74523 8.28901 5.70422 6.86436 9.32616 9.94434 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.83248 9.15042 10.6711 10.3387 8.84944 14.9221 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 7.14979 9.84668 7.43519 5.15367 7.44913 10.5679 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.0009 8.93949 4.76091 6.74022 8.52643 9.95118 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 8.0009 8.93949 4.76091 5.42653 9.75299 12.2237 numMergedOcc 0
6 mol 64 unq 2 iso 0 dist 8.91298 8.93949 6.13923 6.74022 5.41357 9.95118 numMergedOcc 0
7 mol 64 unq 3 iso 0 dist 8.91298 8.93949 6.13923 5.42653 9.30042 12.2237 numMergedOcc 0
8 mol 103 unq 0 iso 0 dist 5.72494 5.94478 6.07628 5.40051 7.66418 10.9047 numMergedOcc 0
9 mol 103 unq 1 iso 0 dist 8.70106 5.94478 10.2138 5.40051 8.078 10.9047 numMergedOcc 0
10 mol 103 unq 2 iso 0 dist 8.70106 5.94478 10.2138 14.0531 6.56481 16.4062 numMergedOcc 0
11 mol 122 unq 0 iso 0 dist 6.78551 5.09114 6.28781 11.7558 8.9864 11.3383 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 7.48833 8.14071 5.99695 14.3839 9.52061 8.59695 numMergedOcc 0
13 mol 132 unq 0 iso 0 dist 7.14447 9.0339 11.6877 9.07803 9.39389 12.625 numMergedOcc 0
14 mol 132 unq 1 iso 0 dist 7.14447 8.48641 11.8999 9.07803 9.39389 14.9674 numMergedOcc 0
15 mol 132 unq 2 iso 0 dist 7.14447 6.23573 5.77316 9.07803 9.39389 12.4587 numMergedOcc 0
16 mol 136 unq 0 iso 0 dist 9.67457 6.53519 10.4141 6.29723 8.41727 11.8469 numMergedOcc 0
17 mol 148 unq 0 iso 0 dist 5.86949 8.62898 5.34721 12.2411 9.18753 13.9381 numMergedOcc 0
18 mol 148 unq 1 iso 0 dist 8.60157 9.7168 5.77745 6.76353 8.6953 12.9544 numMergedOcc 0
19 mol 148 unq 2 iso 0 dist 8.60157 7.38138 11.2162 6.76353 8.6953 13.8436 numMergedOcc 0
20 mol 148 unq 3 iso 0 dist 6.72591 9.7168 12.9245 6.76353 9.18753 12.9544 numMergedOcc 0
21 mol 148 unq 4 iso 0 dist 6.72591 7.38138 10.5987 6.76353 9.18753 13.8436 numMergedOcc 0
22 mol 150 unq 0 iso 0 dist 5.84971 8.6102 5.38822 12.1573 9.15244 13.968 numMergedOcc 0
23 mol 150 unq 1 iso 0 dist 8.59359 9.61132 5.71213 6.65519 8.65967 12.8058 numMergedOcc 0
24 mol 150 unq 2 iso 0 dist 8.59359 7.34423 11.2566 6.65519 8.65967 13.7265 numMergedOcc 0
25 mol 150 unq 3 iso 0 dist 6.80192 9.61132 12.8684 6.65519 9.15244 12.8058 numMergedOcc 0
26 mol 150 unq 4 iso 0 dist 6.80192 7.34423 10.4881 6.65519 9.15244 13.7265 numMergedOcc 0
27 mol 158 unq 0 iso 0 dist 6.45502 8.1504 5.16728 13.5755 9.38856 14.2165 numMergedOcc 0
28 mol 160 unq 0 iso 0 dist 5.13415 9.20228 6.18641 4.95728 8.1876 11.6762 numMergedOcc 0
29 mol 168 unq 0 iso 0 dist 6.89643 6.60477 6.49186 5.8891 7.41092 10.9475 numMergedOcc 0
30 mol 182 unq 0 iso 0 dist 7.03216 6.31492 9.72559 4.60682 8.27913 10.8493 numMergedOcc 0
31 mol 182 unq 1 iso 0 dist 9.42196 6.31492 13.9897 4.60682 8.85111 10.8493 numMergedOcc 0
32 mol 187 unq 0 iso 0 dist 5.26804 7.68247 4.98423 6.31943 5.58167 6.82787 numMergedOcc 0
33 mol 187 unq 1 iso 0 dist 5.26804 7.68247 4.98423 8.33762 8.0501 12.7503 numMergedOcc 0
34 mol 189 unq 0 iso 0 dist 9.71306 9.58744 11.7613 7.19635 9.95686 16.0403 numMergedOcc 0
35 mol 189 unq 1 iso 0 dist 9.71306 9.58744 11.7613 8.18227 9.47321 11.5748 numMergedOcc 0
36 mol 189 unq 2 iso 0 dist 9.20296 9.58744 6.36139 8.18227 6.38294 11.5748 numMergedOcc 0
37 mol 192 unq 0 iso 0 dist 9.67207 9.05666 15.8138 4.64973 6.2016 13.125 numMergedOcc 0
38 mol 192 unq 1 iso 0 dist 9.67207 9.05666 15.8138 6.57816 8.3453 12.5081 numMergedOcc 0
39 mol 198 unq 0 iso 0 dist 7.83611 5.80867 11.3233 17.1351 9.87574 21.083 numMergedOcc 0
40 mol 214 unq 0 iso 0 dist 9.66533 9.01896 11.3575 13.587 4.36421 14.4648 numMergedOcc 0
41 mol 252 unq 0 iso 0 dist 9.31855 9.78185 13.943 11.2871 8.19645 18.9334 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 9.49732 6.49599 11.0067 14.4507 8.54422 17.5095 numMergedOcc 0
43 mol 259 unq 1 iso 0 dist 9.49732 6.49599 11.0067 10.4459 7.67473 13.7569 numMergedOcc 0
44 mol 259 unq 2 iso 0 dist 9.49732 9.34738 11.569 14.4507 8.54422 19.5056 numMergedOcc 0
45 mol 259 unq 3 iso 0 dist 9.49732 9.34738 11.569 10.4459 7.67473 16.595 numMergedOcc 0
46 mol 259 unq 4 iso 0 dist 9.49732 9.47382 6.18571 14.4507 8.54422 13.119 numMergedOcc 0
47 mol 259 unq 5 iso 0 dist 9.49732 9.47382 6.18571 10.4459 7.67473 10.895 numMergedOcc 0
48 mol 276 unq 0 iso 0 dist 8.0652 7.11272 11.0506 6.40983 7.60807 11.5159 numMergedOcc 0
49 mol 276 unq 1 iso 0 dist 8.0652 6.24808 5.88008 6.40983 7.60807 10.1908 numMergedOcc 0
50 mol 283 unq 0 iso 0 dist 6.89455 7.92491 6.41403 9.33643 9.28067 14.8501 numMergedOcc 0
51 mol 283 unq 1 iso 0 dist 8.821 7.92491 4.69801 12.3485 9.243 12.4981 numMergedOcc 0
52 mol 283 unq 2 iso 0 dist 9.82337 7.92491 13.1972 9.33643 5.71075 14.8501 numMergedOcc 0
53 mol 293 unq 0 iso 0 dist 6.02106 8.90008 8.15525 6.26633 7.41524 5.44043 numMergedOcc 0
54 mol 293 unq 1 iso 0 dist 8.27274 8.90008 9.35524 6.26633 6.42608 5.44043 numMergedOcc 0
