0 mol 28 unq 0 iso 0 dist 8.74311 5.64624 10.0777 6.76158 4.50098 10.3431 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.74311 5.64624 10.0777 7.423 8.14695 12.3064 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.74311 5.64624 10.0777 5.89257 9.01546 11.3495 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 9.81779 9.39911 12.172 9.29102 9.96223 7.37466 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 8.60797 7.8217 3.7878 5.43098 9.10091 6.33697 numMergedOcc 0
5 mol 88 unq 1 iso 0 dist 8.60797 7.8217 3.7878 9.40555 10.7807 9.40574 numMergedOcc 0
6 mol 96 unq 0 iso 0 dist 6.26863 8.09839 6.55695 7.40983 4.46676 6.61175 numMergedOcc 0
7 mol 116 unq 0 iso 0 dist 8.39198 7.00284 14.6147 9.70317 14.2669 7.71248 numMergedOcc 0
8 mol 116 unq 1 iso 0 dist 6.70803 7.00284 7.95089 9.70317 9.40781 7.71248 numMergedOcc 0
9 mol 136 unq 0 iso 0 dist 9.91658 9.44126 5.02534 6.99374 4.54436 7.74175 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 5.66981 7.55999 10.0669 5.24882 4.62104 7.81193 numMergedOcc 0
11 mol 176 unq 0 iso 0 dist 9.67536 6.3518 6.38251 8.89556 17.8355 14.1247 numMergedOcc 0
12 mol 176 unq 1 iso 0 dist 9.25815 6.3518 3.93619 8.89556 17.5881 14.1247 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 9.58058 5.77564 9.03774 8.94445 6.6281 6.60449 numMergedOcc 0
14 mol 211 unq 0 iso 0 dist 9.05403 5.5346 12.4626 7.78316 12.8384 4.61879 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 8.66699 6.93583 5.30688 9.02494 15.0717 10.2872 numMergedOcc 0
16 mol 225 unq 1 iso 0 dist 8.66699 6.93583 5.30688 8.83641 10.6012 10.8379 numMergedOcc 0
17 mol 225 unq 2 iso 0 dist 6.75968 6.93583 10.6175 9.02494 11.5114 10.2872 numMergedOcc 0
18 mol 225 unq 3 iso 0 dist 6.75968 6.93583 10.6175 8.83641 3.90246 10.8379 numMergedOcc 0
