0 mol 29 unq 0 iso 0 dist 7.77822 8.00338 6.65851 4.45723 10.9794 9.2087 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 7.77613 7.32472 5.29955 4.61111 7.68019 4.75881 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.9175 9.80453 3.42062 8.42234 6.77802 9.05737 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 6.75432 5.23167 3.70802 3.89181 7.49792 4.46067 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 8.45469 5.23167 3.66673 3.89181 6.58981 4.46067 numMergedOcc 0
5 mol 62 unq 2 iso 0 dist 7.63855 6.0827 4.29679 5.4275 6.51901 4.46067 numMergedOcc 0
6 mol 62 unq 3 iso 0 dist 5.48766 6.0827 8.07308 5.4275 9.1926 4.46067 numMergedOcc 0
7 mol 62 unq 4 iso 0 dist 9.63139 6.0827 10.3525 5.4275 10.8493 4.46067 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 6.24764 7.61514 3.81285 10.8634 8.15861 6.67137 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 6.24764 7.61514 3.81285 15.0522 11.7875 9.78707 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 6.24764 8.21116 6.17121 13.6965 13.154 7.07839 numMergedOcc 0
11 mol 85 unq 3 iso 0 dist 6.24764 8.21116 6.17121 10.513 13.0359 9.09711 numMergedOcc 0
12 mol 85 unq 4 iso 0 dist 6.24764 8.21116 6.17121 12.6759 13.6468 7.91193 numMergedOcc 0
13 mol 85 unq 5 iso 0 dist 6.24764 8.21116 6.17121 10.8634 8.15861 7.04244 numMergedOcc 0
14 mol 85 unq 6 iso 0 dist 6.24764 8.21116 6.17121 15.0522 11.7875 9.63449 numMergedOcc 0
15 mol 90 unq 0 iso 0 dist 9.25793 7.30934 3.79142 4.3421 6.77993 5.24346 numMergedOcc 0
16 mol 93 unq 0 iso 0 dist 7.04155 6.06155 3.89959 7.0652 8.92653 8.71366 numMergedOcc 0
17 mol 113 unq 0 iso 0 dist 8.44588 9.27028 3.7042 16.2029 9.68191 7.02358 numMergedOcc 0
18 mol 113 unq 1 iso 0 dist 9.16474 6.38269 9.30891 10.3017 11.8399 5.31126 numMergedOcc 0
19 mol 113 unq 2 iso 0 dist 9.16474 6.38269 9.30891 10.3632 13.2408 4.49669 numMergedOcc 0
20 mol 113 unq 3 iso 0 dist 9.16474 6.38269 9.30891 9.86085 15.1634 6.00221 numMergedOcc 0
21 mol 113 unq 4 iso 0 dist 9.16474 7.11196 7.62615 10.3017 11.8399 7.16619 numMergedOcc 0
22 mol 113 unq 5 iso 0 dist 9.16474 7.11196 7.62615 10.3632 13.2408 5.88896 numMergedOcc 0
23 mol 117 unq 0 iso 0 dist 6.98104 5.56913 8.97988 11.3762 12.5497 9.02015 numMergedOcc 0
24 mol 117 unq 1 iso 0 dist 8.56221 5.56913 3.65999 11.3762 11.3394 9.02015 numMergedOcc 0
25 mol 169 unq 0 iso 0 dist 9.28392 6.18165 13.6106 6.5732 14.745 5.10589 numMergedOcc 0
26 mol 169 unq 1 iso 0 dist 9.28392 6.18165 13.6106 4.14139 13.2851 4.63336 numMergedOcc 0
27 mol 169 unq 2 iso 0 dist 9.28392 6.18165 13.6106 7.73206 16.5283 6.10715 numMergedOcc 0
28 mol 176 unq 0 iso 0 dist 7.06005 6.32254 3.75017 4.03856 9.40603 8.65645 numMergedOcc 0
29 mol 176 unq 1 iso 0 dist 7.06005 6.32254 3.75017 5.25264 9.7293 6.85902 numMergedOcc 0
30 mol 225 unq 0 iso 0 dist 9.21721 6.15671 6.46348 8.58432 5.65735 9.54529 numMergedOcc 0
31 mol 260 unq 0 iso 0 dist 7.69551 7.13397 7.27279 4.38276 11.7457 8.62655 numMergedOcc 0
32 mol 260 unq 1 iso 0 dist 7.69551 5.33278 5.97575 8.90225 11.4771 6.48099 numMergedOcc 0
33 mol 281 unq 0 iso 0 dist 9.79394 8.78416 3.86368 16.2332 7.43535 7.90368 numMergedOcc 0
34 mol 281 unq 1 iso 0 dist 9.79394 8.78416 3.86368 10.564 9.80393 6.69267 numMergedOcc 0
35 mol 281 unq 2 iso 0 dist 9.79394 9.22428 7.4282 9.75261 11.8734 5.33372 numMergedOcc 0
36 mol 281 unq 3 iso 0 dist 9.79394 9.22428 7.4282 10.564 9.80393 6.56886 numMergedOcc 0
37 mol 281 unq 4 iso 0 dist 6.52115 7.82358 3.86368 12.9503 7.43535 7.90368 numMergedOcc 0
38 mol 281 unq 5 iso 0 dist 6.52115 7.82358 3.86368 9.45924 9.80393 6.69267 numMergedOcc 0
