0 mol 11 unq 0 iso 0 dist 5.87616 6.29106 4.08268 4.37231 5.7435 4.30695 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.87616 7.05626 4.24301 4.37231 5.7435 6.35398 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 5.35101 8.80308 4.37642 9.89708 9.01612 9.92355 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 5.35101 8.80308 4.37642 7.71984 6.36193 5.93884 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 5.35101 8.80308 4.37642 4.67517 4.88613 7.68678 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 5.16558 7.98453 4.31746 9.91376 11.3095 9.49144 numMergedOcc 0
6 mol 67 unq 1 iso 0 dist 9.62459 7.98453 7.58981 9.91376 16.2773 9.49144 numMergedOcc 0
7 mol 81 unq 0 iso 0 dist 8.68497 7.27852 11.2869 4.35132 10.5038 5.65974 numMergedOcc 0
8 mol 91 unq 0 iso 0 dist 7.62621 4.86532 10.4949 5.27581 12.9007 5.73743 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 9.16344 8.70427 9.74143 7.32041 8.35636 7.02927 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 8.87505 8.65287 11.0466 6.79537 9.72083 9.99802 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 7.03774 8.9967 3.98821 10.0484 11.0728 9.90168 numMergedOcc 0
12 mol 167 unq 0 iso 0 dist 9.38623 9.83216 12.7343 9.58044 16.2741 9.67741 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 8.94464 5.87853 10.0344 6.73556 13.9813 9.72611 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 8.63713 5.87853 3.90972 6.73556 10.3248 9.72611 numMergedOcc 0
15 mol 181 unq 2 iso 0 dist 8.92685 8.83185 8.35127 5.49497 10.5756 5.94469 numMergedOcc 0
16 mol 181 unq 3 iso 0 dist 5.08796 9.0234 6.78739 10.9813 9.84952 5.94469 numMergedOcc 0
17 mol 181 unq 4 iso 0 dist 5.93515 9.0234 11.3693 10.9813 10.8641 5.94469 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 7.38022 8.88206 4.87337 6.75711 8.5119 6.1951 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 4.43243 7.87572 9.5878 5.6375 9.48215 7.1686 numMergedOcc 0
20 mol 236 unq 1 iso 0 dist 5.92025 7.87572 5.55311 5.6375 7.89744 7.1686 numMergedOcc 0
21 mol 236 unq 2 iso 0 dist 9.04819 7.87572 4.28296 5.6375 8.6417 7.1686 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 8.92585 6.62283 5.18265 10.2134 10.9696 7.57812 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 8.92585 6.62283 5.18265 5.88384 13.4956 9.24557 numMergedOcc 0
24 mol 238 unq 2 iso 0 dist 8.92585 8.60978 4.30687 10.2134 10.9696 8.69104 numMergedOcc 0
25 mol 271 unq 0 iso 0 dist 8.74168 6.70662 6.15348 4.75339 9.56149 9.70714 numMergedOcc 0
