0 mol 21 unq 0 iso 0 dist 5.82503 4.75954 6.21335 9.96878 6.58798 6.55346 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 7.77338 6.83136 7.92196 12.9416 6.83212 9.57666 numMergedOcc 0
2 mol 132 unq 0 iso 0 dist 9.7097 8.73811 7.17412 9.10144 5.6296 9.77766 numMergedOcc 0
3 mol 132 unq 1 iso 0 dist 9.7097 6.86351 5.69956 9.10144 5.6296 9.11314 numMergedOcc 0
4 mol 165 unq 0 iso 0 dist 8.7717 13.3492 6.78432 17.4975 9.78341 4.46402 numMergedOcc 0
5 mol 165 unq 1 iso 0 dist 8.10412 5.10615 6.78432 9.26733 9.78341 4.46402 numMergedOcc 0
6 mol 182 unq 0 iso 0 dist 5.16184 7.7168 9.72584 7.03216 4.39505 9.96156 numMergedOcc 0
7 mol 182 unq 1 iso 0 dist 5.16184 7.7168 9.72584 10.7536 13.728 9.80892 numMergedOcc 0
8 mol 182 unq 2 iso 0 dist 8.54162 10.8463 9.72584 11.7599 4.39505 9.96156 numMergedOcc 0
9 mol 182 unq 3 iso 0 dist 8.54162 10.8463 9.72584 19.2817 13.728 9.80892 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 9.11273 9.04255 5.94087 8.98221 4.96821 7.62128 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 8.87835 16.8336 8.78286 11.6952 6.24537 8.86708 numMergedOcc 0
12 mol 210 unq 1 iso 0 dist 8.87835 16.8336 8.78286 21.2851 13.3059 5.86875 numMergedOcc 0
13 mol 210 unq 2 iso 0 dist 9.54076 9.27683 8.78286 13.6229 6.24537 8.86708 numMergedOcc 0
14 mol 210 unq 3 iso 0 dist 9.54076 9.27683 8.78286 15.0269 13.3059 5.86875 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 4.58449 4.87397 8.81279 12.9445 14.7206 9.92712 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 7.03223 4.87397 9.57951 12.9445 13.2207 9.92712 numMergedOcc 0
17 mol 261 unq 0 iso 0 dist 8.9569 7.35121 9.6169 15.1449 15.1458 9.42131 numMergedOcc 0
18 mol 261 unq 1 iso 0 dist 8.9569 7.35121 9.6169 7.4202 7.11734 6.24373 numMergedOcc 0
19 mol 265 unq 0 iso 0 dist 9.09556 12.6189 5.8374 21.3487 13.2654 9.05568 numMergedOcc 0
20 mol 265 unq 1 iso 0 dist 9.09556 12.6189 5.8374 13.4406 5.57706 7.29987 numMergedOcc 0
