0 mol 76 unq 0 iso 0 dist 5.37449 8.8326 5.34337 9.82998 10.6345 9.4866 numMergedOcc 0
1 mol 76 unq 1 iso 0 dist 5.37449 8.8326 5.34337 15.7506 14.3683 9.40363 numMergedOcc 0
2 mol 76 unq 2 iso 0 dist 9.52666 8.8326 10.8827 9.82998 11.3094 9.4866 numMergedOcc 0
3 mol 76 unq 3 iso 0 dist 9.52666 8.8326 10.8827 15.7506 18.4646 9.40363 numMergedOcc 0
4 mol 89 unq 0 iso 0 dist 6.86861 5.10735 8.04878 7.54528 13.6066 9.86405 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 6.48475 8.4088 6.29799 11.7526 11.1892 5.06715 numMergedOcc 0
6 mol 134 unq 1 iso 0 dist 6.48475 8.4088 6.29799 10.8306 9.57666 6.14686 numMergedOcc 0
7 mol 134 unq 2 iso 0 dist 6.48475 8.4088 6.29799 10.1184 11.7935 8.22942 numMergedOcc 0
8 mol 134 unq 3 iso 0 dist 6.48475 8.4088 6.29799 5.73959 10.2361 8.50502 numMergedOcc 0
9 mol 134 unq 4 iso 0 dist 6.48475 8.4088 6.29799 7.28943 10.2494 6.68164 numMergedOcc 0
10 mol 134 unq 5 iso 0 dist 6.00896 6.41759 7.45747 6.63186 10.5922 5.52149 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 8.3622 8.14405 10.5172 7.441 9.77059 7.29911 numMergedOcc 0
12 mol 155 unq 1 iso 0 dist 8.3622 8.14405 10.5172 6.79302 12.5457 5.36254 numMergedOcc 0
13 mol 162 unq 0 iso 0 dist 7.08934 8.0852 8.69327 4.55959 8.8048 6.65272 numMergedOcc 0
14 mol 162 unq 1 iso 0 dist 7.08934 8.83222 6.65154 4.55959 8.8048 9.66989 numMergedOcc 0
15 mol 162 unq 2 iso 0 dist 8.87346 8.0852 7.61345 4.55959 10.7615 6.65272 numMergedOcc 0
16 mol 162 unq 3 iso 0 dist 8.87346 8.83222 3.21382 4.55959 10.7615 9.66989 numMergedOcc 0
17 mol 193 unq 0 iso 0 dist 7.71716 8.28942 7.03555 6.8779 10.2826 5.79911 numMergedOcc 0
18 mol 224 unq 0 iso 0 dist 5.07376 5.88041 4.67513 5.56344 7.26162 5.73591 numMergedOcc 0
19 mol 224 unq 1 iso 0 dist 5.07376 5.88041 4.67513 7.256 10.8981 8.55345 numMergedOcc 0
20 mol 228 unq 0 iso 0 dist 6.97798 9.96994 4.61961 11.9786 8.5965 7.86746 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 7.75366 5.41453 4.70535 11.6924 10.2886 7.39547 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 7.75366 5.41453 4.70535 5.61491 10.8592 7.24334 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 8.92121 8.03092 11.1207 11.4002 14.5133 9.74902 numMergedOcc 0
24 mol 242 unq 0 iso 0 dist 9.31878 6.1076 4.46131 7.52834 10.5846 6.53309 numMergedOcc 0
25 mol 243 unq 0 iso 0 dist 7.2154 8.48003 6.87269 7.20515 11.5867 9.33476 numMergedOcc 0
26 mol 247 unq 0 iso 0 dist 8.64941 5.52484 3.42642 7.35295 11.1897 8.53041 numMergedOcc 0
27 mol 267 unq 0 iso 0 dist 6.79491 4.42902 6.15683 6.07755 10.2993 6.32877 numMergedOcc 0
28 mol 283 unq 0 iso 0 dist 6.53354 8.39635 7.87842 11.0363 15.2207 9.60574 numMergedOcc 0
29 mol 283 unq 1 iso 0 dist 6.93798 8.39635 5.55396 11.0363 10.6717 9.60574 numMergedOcc 0
