0 mol 64 unq 0 iso 0 dist 5.66803 5.54343 5.9853 12.1186 8.85416 13.7301 5.59762 9.21546 9.67592 15.7464 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 7.48127 4.83274 10.6009 10.0928 5.73235 11.7544 10.2219 14.6364 6.97941 12.8454 numMergedOcc 0
2 mol 112 unq 0 iso 0 dist 9.42014 5.81552 6.29923 10.5302 9.3757 11.0565 10.626 12.9747 9.60462 10.0299 numMergedOcc 0
3 mol 112 unq 1 iso 0 dist 9.42014 5.81552 6.29923 10.5302 9.3757 11.0565 5.27363 12.5126 7.45389 11.5698 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 9.67606 6.09472 4.45342 5.54133 9.41083 6.20658 5.74878 9.28214 4.99221 7.09627 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 9.41083 6.20658 4.45342 5.54133 9.67606 6.09472 7.09627 9.28214 4.99221 5.74878 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 9.41083 7.83568 11.8582 5.54133 9.67606 12.9952 7.10772 14.3348 5.11551 11.7723 numMergedOcc 0
7 mol 115 unq 3 iso 0 dist 9.41083 7.83568 11.8582 5.54133 9.67606 12.9952 11.3906 18.1828 7.11972 16.7427 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 7.03107 6.6776 4.51101 4.6893 7.30813 9.09725 13.7028 13.3338 9.0018 16.8008 numMergedOcc 0
9 mol 175 unq 1 iso 0 dist 7.03107 6.6776 4.51101 4.6893 7.30813 9.09725 10.4662 8.84385 5.6234 12.0877 numMergedOcc 0
10 mol 175 unq 2 iso 0 dist 7.03107 6.6776 4.51101 4.6893 7.30813 9.09725 7.42609 9.81041 6.57069 9.79219 numMergedOcc 0
11 mol 182 unq 0 iso 0 dist 8.27913 9.36307 8.27268 9.61687 8.85111 15.8237 9.72559 10.8493 9.31746 13.9897 numMergedOcc 0
12 mol 182 unq 1 iso 0 dist 8.27913 9.36307 8.27268 11.427 6.38335 12.9992 9.72559 10.8493 9.31746 16.9963 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 7.82201 9.40003 17.1162 8.94237 5.86911 16.48 16.5528 23.0178 9.65138 19.9351 numMergedOcc 0
14 mol 214 unq 1 iso 0 dist 7.82201 9.40003 17.1162 8.94237 5.86911 16.48 9.11345 15.2631 7.14453 13.0425 numMergedOcc 0
15 mol 214 unq 2 iso 0 dist 7.82201 9.40003 17.1162 8.94237 5.86911 16.48 16.922 23.8076 8.85478 21.3444 numMergedOcc 0
16 mol 214 unq 3 iso 0 dist 5.86911 9.4835 13.1789 8.94237 7.82201 17.4836 14.5108 19.5839 8.82096 22.9183 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 8.57174 8.9077 13.8822 12.1405 6.80214 12.7786 10.6943 18.2814 9.23153 19.9708 numMergedOcc 0
18 mol 220 unq 1 iso 0 dist 8.57174 8.9077 13.8822 12.1405 6.80214 12.7786 15.396 19.4468 8.24498 17.6461 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 8.63249 9.97357 13.6195 15.386 7.74348 16.3801 8.3919 11.8908 8.03456 14.9569 numMergedOcc 0
20 mol 236 unq 1 iso 0 dist 8.63249 9.97357 13.6195 15.386 7.74348 16.3801 4.88785 12.0498 6.84306 17.2906 numMergedOcc 0
21 mol 236 unq 2 iso 0 dist 8.63249 9.97357 13.6195 15.386 7.74348 16.3801 10.2557 5.90804 9.99038 6.49831 numMergedOcc 0
22 mol 236 unq 3 iso 0 dist 8.63249 9.97357 13.6195 15.386 7.74348 16.3801 14.6755 15.4854 9.78037 15.0479 numMergedOcc 0
23 mol 236 unq 4 iso 0 dist 8.63249 9.97357 13.6195 15.386 7.74348 16.3801 16.5918 16.1665 8.35971 15.3215 numMergedOcc 0
24 mol 236 unq 5 iso 0 dist 8.63249 6.36941 7.45579 15.386 7.74348 12.2331 8.3919 11.8908 9.81562 14.9569 numMergedOcc 0
25 mol 236 unq 6 iso 0 dist 8.63249 6.36941 7.45579 15.386 7.74348 12.2331 4.88785 12.0498 7.68742 17.2906 numMergedOcc 0
26 mol 236 unq 7 iso 0 dist 8.63249 6.36941 7.45579 15.386 7.74348 12.2331 10.2557 5.90804 6.27581 6.49831 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 8.70193 7.9357 4.51422 7.64421 7.25618 8.81059 8.73372 10.0455 6.42289 9.78068 numMergedOcc 0
28 mol 258 unq 1 iso 0 dist 7.25618 8.81059 4.51422 7.64421 8.70193 7.9357 9.78068 10.0455 6.42289 8.73372 numMergedOcc 0
29 mol 261 unq 0 iso 0 dist 6.0437 8.50313 4.25662 4.70691 4.85199 7.6414 13.3163 12.1908 8.45658 13.6041 numMergedOcc 0
30 mol 261 unq 1 iso 0 dist 6.0437 8.50313 4.25662 9.51335 9.13604 12.8798 13.3163 12.1908 8.45658 19.8487 numMergedOcc 0
31 mol 261 unq 2 iso 0 dist 4.85199 7.6414 4.25662 4.70691 6.0437 8.50313 13.6041 12.1908 8.45658 13.3163 numMergedOcc 0
32 mol 261 unq 3 iso 0 dist 4.85199 7.6414 4.25662 6.43452 9.13604 12.8798 13.6041 12.1908 8.45658 19.8487 numMergedOcc 0
33 mol 261 unq 4 iso 0 dist 9.72159 7.6414 12.864 6.43452 6.89731 12.8798 13.6041 20.1172 8.45658 19.8487 numMergedOcc 0
34 mol 277 unq 0 iso 0 dist 8.15119 8.35794 7.94155 11.3688 6.66936 14.2462 5.77904 4.81916 9.7748 7.44724 numMergedOcc 0
35 mol 280 unq 0 iso 0 dist 9.76967 9.26066 18.1328 11.8293 8.83076 19.6794 12.5899 21.2961 6.53701 20.0895 numMergedOcc 0
