0 mol 21 unq 0 iso 0 dist 8.90496 9.24767 3.76294 4.2995 5.63735 7.05407 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 7.66913 5.39587 9.12176 10.0272 12.8273 7.01952 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 7.66913 5.39587 9.12176 6.65242 10.5579 4.58552 numMergedOcc 0
3 mol 39 unq 0 iso 0 dist 8.4436 6.17708 3.91611 4.16606 6.13351 5.27182 numMergedOcc 0
4 mol 39 unq 1 iso 0 dist 8.4436 6.17708 3.91611 5.28487 11.242 9.75289 numMergedOcc 0
5 mol 39 unq 2 iso 0 dist 8.4436 6.17708 3.91611 8.4626 9.49942 9.12545 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 8.44761 6.09085 5.75753 10.6564 10.3955 5.7369 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 6.81124 6.09085 5.26311 10.6564 10.7831 5.7369 numMergedOcc 0
8 mol 68 unq 2 iso 0 dist 6.27321 6.72469 7.71726 3.62638 7.98985 5.7369 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 6.14674 6.99586 6.48115 10.4961 12.1256 9.99441 numMergedOcc 0
10 mol 103 unq 0 iso 0 dist 7.74778 5.62245 4.21859 6.18487 8.70165 5.42044 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 9.88541 8.00085 5.79394 7.83378 14.1491 9.09348 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 7.35647 9.47287 10.5637 9.41378 14.321 7.5573 numMergedOcc 0
13 mol 130 unq 1 iso 0 dist 7.35647 9.47287 10.5637 7.46055 13.8034 9.58633 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 6.08299 6.14652 6.93712 11.6261 9.0176 8.62504 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 6.10556 5.05627 3.98068 6.83215 5.92302 7.92216 numMergedOcc 0
16 mol 162 unq 0 iso 0 dist 8.27017 9.71155 10.518 4.6728 12.2437 9.43904 numMergedOcc 0
17 mol 162 unq 1 iso 0 dist 8.27017 9.71155 10.518 7.06734 13.1079 7.01095 numMergedOcc 0
18 mol 184 unq 0 iso 0 dist 6.71675 8.09403 4.67256 8.04827 7.81263 4.61596 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 6.19189 9.00537 4.03697 12.9635 9.99396 8.5672 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 8.34668 8.9388 4.03697 4.68208 9.99396 8.5672 numMergedOcc 0
21 mol 186 unq 2 iso 0 dist 8.76308 8.9388 14.8715 4.68208 13.0968 8.5672 numMergedOcc 0
22 mol 186 unq 3 iso 0 dist 6.0685 8.95209 3.87082 13.1688 11.2869 8.36129 numMergedOcc 0
23 mol 186 unq 4 iso 0 dist 6.0685 8.95209 3.87082 12.4508 9.1853 5.86483 numMergedOcc 0
24 mol 214 unq 0 iso 0 dist 6.90717 5.56977 3.91276 10.4985 12.9546 9.43017 numMergedOcc 0
25 mol 217 unq 0 iso 0 dist 5.88992 8.28155 9.98266 12.1239 16.9806 9.37602 numMergedOcc 0
26 mol 217 unq 1 iso 0 dist 5.88992 8.28155 9.98266 9.1242 12.9961 8.26522 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 7.90349 6.92276 5.2878 7.00699 12.2694 8.85214 numMergedOcc 0
28 mol 235 unq 1 iso 0 dist 7.90349 6.92276 5.2878 7.69605 8.92161 5.1874 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 5.27184 5.9625 3.86189 4.51728 6.15635 8.93212 numMergedOcc 0
30 mol 236 unq 1 iso 0 dist 7.98527 5.9625 5.69926 4.51728 12.1535 8.93212 numMergedOcc 0
31 mol 243 unq 0 iso 0 dist 7.30188 6.56525 3.85188 9.67191 11.4892 8.20943 numMergedOcc 0
32 mol 277 unq 0 iso 0 dist 6.71956 9.22453 6.64795 10.3171 9.26157 7.16209 numMergedOcc 0
33 mol 277 unq 1 iso 0 dist 6.71956 9.22453 6.64795 10.6814 9.11117 4.62936 numMergedOcc 0
