0 mol 22 unq 0 iso 0 dist 9.64681 8.05363 4.62118 8.05386 7.40116 4.52873 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 7.69318 8.30291 13.6548 6.0827 7.49995 6.8858 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 4.84729 9.79714 12.8695 9.06957 4.52632 15.7682 numMergedOcc 0
3 mol 88 unq 0 iso 0 dist 7.8217 8.71603 5.10009 5.43098 6.33697 4.47193 numMergedOcc 0
4 mol 88 unq 1 iso 0 dist 7.8217 8.71603 5.10009 9.40555 9.40574 12.8972 numMergedOcc 0
5 mol 116 unq 0 iso 0 dist 7.00284 6.12388 7.65309 9.70317 7.71248 4.91553 numMergedOcc 0
6 mol 117 unq 0 iso 0 dist 9.93938 6.97244 8.50231 5.56913 9.06246 4.46691 numMergedOcc 0
7 mol 123 unq 0 iso 0 dist 8.40076 7.89237 4.41099 7.04627 10.1291 7.75915 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 7.55999 9.03233 4.76513 5.24882 7.81193 10.9086 numMergedOcc 0
9 mol 168 unq 0 iso 0 dist 5.45739 7.53748 8.76803 8.47439 10.7396 4.07587 numMergedOcc 0
10 mol 168 unq 1 iso 0 dist 6.75751 7.53748 10.1921 8.47439 9.33959 4.07587 numMergedOcc 0
11 mol 171 unq 0 iso 0 dist 8.30602 8.68992 6.53251 8.00826 4.73385 7.36886 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 5.77564 5.47189 8.339 8.94445 6.60449 6.92078 numMergedOcc 0
13 mol 211 unq 0 iso 0 dist 5.5346 7.66285 9.4877 7.78316 4.61879 9.1709 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 6.93583 9.30186 11.6661 9.02494 10.2872 14.2198 numMergedOcc 0
15 mol 225 unq 1 iso 0 dist 6.93583 9.30186 11.6661 8.83641 10.8379 17.4586 numMergedOcc 0
16 mol 225 unq 2 iso 0 dist 6.93583 6.51997 6.81109 9.02494 10.2872 9.76678 numMergedOcc 0
17 mol 225 unq 3 iso 0 dist 6.93583 6.51997 6.81109 8.83641 10.8379 5.41981 numMergedOcc 0
