0 mol 0 unq 0 iso 0 dist 9.23213 6.26831 4.04089 7.40865 9.30151 5.73813 5.24778 8.34244 6.64713 10.4616 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 8.81979 6.26831 7.56754 7.40865 6.11501 5.73813 5.24778 12.5479 6.64713 10.4616 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 8.33604 7.3915 11.705 8.53529 11.4716 5.65816 14.1378 20.3264 8.77457 11.3039 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 9.87449 7.032 6.93413 8.64915 10.9409 4.58685 4.98827 11.621 6.32226 7.35972 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 9.87449 7.032 6.93413 8.17347 8.50857 5.83039 4.98827 11.621 6.32226 9.93542 numMergedOcc 0
5 mol 9 unq 2 iso 0 dist 9.87449 7.032 6.93413 7.83133 6.89307 9.193 4.98827 11.621 6.32226 11.9655 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 8.78293 6.92532 15.1136 7.75618 6.2337 13.9675 4.97119 13.1234 6.39966 9.95212 numMergedOcc 0
7 mol 19 unq 1 iso 0 dist 8.23643 6.92532 6.87842 7.75618 14.4867 13.9675 4.97119 11.3136 6.39966 9.95212 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 7.82528 6.92532 6.34272 7.75618 11.4087 13.9675 4.97119 5.82366 6.39966 9.95212 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 8.72704 7.12017 6.00843 7.38135 11.0949 9.38256 9.75737 14.4265 9.5669 14.4785 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 8.71128 6.34525 14.3491 6.84011 9.23527 8.51024 12.7083 20.6955 9.35942 14.1286 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 6.91348 9.29384 6.01893 8.70296 9.93183 10.8127 13.1439 10.7802 5.44303 15.6807 numMergedOcc 0
12 mol 131 unq 1 iso 0 dist 6.91348 9.29384 6.01893 8.70296 9.93183 10.8127 13.7237 11.4282 8.50562 18.6956 numMergedOcc 0
13 mol 131 unq 2 iso 0 dist 6.91348 9.29384 6.01893 9.25558 5.90177 11.2516 13.1439 10.7802 5.44303 14.8175 numMergedOcc 0
14 mol 131 unq 3 iso 0 dist 6.91348 9.29384 6.01893 9.25558 5.90177 11.2516 13.7237 11.4282 8.50562 13.2952 numMergedOcc 0
15 mol 131 unq 4 iso 0 dist 9.51418 9.29384 15.1974 8.70296 16.5048 10.8127 13.1439 18.4174 5.44303 15.6807 numMergedOcc 0
16 mol 131 unq 5 iso 0 dist 9.51418 9.29384 15.1974 8.70296 16.5048 10.8127 13.7237 16.3398 8.50562 18.6956 numMergedOcc 0
17 mol 131 unq 6 iso 0 dist 9.51418 9.29384 15.1974 9.25558 5.70899 11.2516 13.1439 18.4174 5.44303 14.8175 numMergedOcc 0
18 mol 131 unq 7 iso 0 dist 9.51418 9.29384 15.1974 9.25558 5.70899 11.2516 13.7237 16.3398 8.50562 13.2952 numMergedOcc 0
19 mol 156 unq 0 iso 0 dist 7.36119 5.38091 5.33988 7.30357 11.9671 12.4049 5.81563 6.05323 7.46845 8.21184 numMergedOcc 0
20 mol 156 unq 1 iso 0 dist 7.36119 5.38091 5.33988 8.61587 8.69711 11.7015 5.81563 6.05323 7.46845 5.9976 numMergedOcc 0
21 mol 175 unq 0 iso 0 dist 9.52634 7.35824 6.05776 9.39352 7.60254 10.3786 11.8693 10.5485 5.89564 16.2138 numMergedOcc 0
22 mol 175 unq 1 iso 0 dist 9.52634 7.35824 6.05776 9.39352 7.60254 10.3786 6.77832 8.99988 5.60528 13.4698 numMergedOcc 0
23 mol 175 unq 2 iso 0 dist 9.52634 9.17364 5.85047 9.39352 7.60254 11.9672 6.77832 8.99988 5.5995 13.4698 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 6.94688 6.51749 10.4684 8.90963 4.43678 13.0913 5.6044 10.3766 7.11785 10.515 numMergedOcc 0
25 mol 181 unq 1 iso 0 dist 6.71012 6.51749 12.69 8.90963 6.03415 13.0913 5.6044 10.7723 7.11785 10.515 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 6.47873 6.26839 6.8278 8.65535 10.7231 5.92931 11.6598 11.4415 5.68348 6.1886 numMergedOcc 0
27 mol 194 unq 1 iso 0 dist 5.48258 8.83356 7.69247 8.29382 4.79043 12.361 7.11753 8.52969 5.68348 12.3845 numMergedOcc 0
28 mol 194 unq 2 iso 0 dist 5.48258 8.83356 7.69247 6.72379 4.26755 7.50057 7.11753 8.52969 5.68348 6.38324 numMergedOcc 0
29 mol 194 unq 3 iso 0 dist 6.15769 8.83356 13.9521 8.29382 6.56076 12.361 7.11753 12.9874 5.68348 12.3845 numMergedOcc 0
30 mol 194 unq 4 iso 0 dist 6.15769 8.83356 13.9521 6.72379 10.0315 7.50057 7.11753 12.9874 5.68348 6.38324 numMergedOcc 0
31 mol 204 unq 0 iso 0 dist 5.90931 6.85441 10.7974 9.68728 11.145 5.42649 5.86489 11.641 5.91727 10.2072 numMergedOcc 0
