0 mol 30 unq 0 iso 0 dist 9.41816 8.66179 8.18794 4.63126 9.88998 5.93929 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.50403 5.97042 6.30436 14.0771 9.53262 8.77484 numMergedOcc 0
2 mol 86 unq 0 iso 0 dist 9.81596 5.04914 8.42594 6.1572 6.54726 6.65686 numMergedOcc 0
3 mol 86 unq 1 iso 0 dist 9.75155 4.78277 9.67574 6.22915 6.13833 6.82648 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 9.69413 5.22926 7.94379 9.00479 8.95044 4.74096 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 7.74102 6.04744 9.82274 10.1824 7.46812 13.5772 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 7.74102 4.95069 9.02712 10.1824 7.46812 12.1124 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 5.88001 13.5995 8.5614 4.58314 6.27859 11.2477 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 5.88001 13.5995 8.5614 4.71444 6.28535 13.1825 numMergedOcc 0
9 mol 152 unq 0 iso 0 dist 9.07154 11.5349 9.54774 6.48532 9.08475 7.8634 numMergedOcc 0
10 mol 154 unq 0 iso 0 dist 6.17381 7.37385 4.62366 4.68722 7.76579 10.7995 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 9.39996 5.51888 8.3622 6.85166 9.77059 7.441 numMergedOcc 0
12 mol 183 unq 0 iso 0 dist 6.23903 5.24086 9.84649 6.93732 8.55287 12.0052 numMergedOcc 0
13 mol 183 unq 1 iso 0 dist 8.39603 13.0499 9.84649 12.0539 8.55287 12.0052 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 9.19442 11.1021 9.95252 18.756 9.84931 16.2326 numMergedOcc 0
15 mol 239 unq 1 iso 0 dist 9.19442 11.1021 9.95252 12.7062 5.58605 8.58238 numMergedOcc 0
16 mol 239 unq 2 iso 0 dist 9.19442 4.30527 8.92121 18.756 9.84931 18.2417 numMergedOcc 0
17 mol 239 unq 3 iso 0 dist 9.19442 4.30527 8.92121 12.7062 5.58605 11.2062 numMergedOcc 0
18 mol 243 unq 0 iso 0 dist 8.82741 11.6124 8.1195 11.562 8.75924 16.7945 numMergedOcc 0
19 mol 243 unq 1 iso 0 dist 4.88105 11.0067 8.1195 7.2163 8.75924 16.7945 numMergedOcc 0
20 mol 243 unq 2 iso 0 dist 9.44057 16.3085 8.1195 5.97613 8.75924 16.7945 numMergedOcc 0
