0 mol 11 unq 0 iso 0 dist 6.09937 4.73237 8.68293 6.89666 7.28643 4.61088 10.6838 13.5125 5.96346 6.86684 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.07476 5.8961 6.84216 10.2486 9.68636 4.61088 9.52695 6.76736 5.96346 6.86684 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.6586 13.2653 8.23075 9.54519 6.7846 5.54419 13.5984 12.2271 8.70827 5.59311 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.6586 13.2653 8.23075 9.54519 6.7846 5.54419 18.4559 12.2839 6.73939 12.176 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.86038 5.8457 8.04242 11.847 5.76272 7.95579 12.8003 13.5973 7.54568 10.2865 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 9.86038 5.8457 8.04242 9.89682 8.18948 6.19965 12.8003 13.5973 7.54568 8.09967 numMergedOcc 0
6 mol 85 unq 2 iso 0 dist 9.86038 5.8457 8.04242 11.3695 14.113 7.66905 12.8003 13.5973 7.54568 4.65335 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 7.08403 14.0364 7.02367 10.783 5.37655 5.86073 9.09263 5.40648 8.8822 10.1816 numMergedOcc 0
8 mol 113 unq 1 iso 0 dist 7.08403 14.0364 7.02367 10.783 5.37655 5.86073 5.37302 3.52111 9.66219 8.42718 numMergedOcc 0
9 mol 122 unq 0 iso 0 dist 6.80798 4.42285 4.42563 9.69426 7.90729 8.37808 11.7617 11.3935 9.23819 7.39059 numMergedOcc 0
10 mol 122 unq 1 iso 0 dist 6.80798 4.42285 4.42563 9.69426 7.90729 8.37808 11.999 8.90201 8.88537 5.0355 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 8.93485 4.2475 9.31158 13.2057 10.8636 9.61492 7.23557 9.43113 4.8668 9.13652 numMergedOcc 0
12 mol 205 unq 1 iso 0 dist 8.93485 4.2475 9.31158 6.752 5.42503 7.45763 7.23557 9.43113 4.8668 5.8535 numMergedOcc 0
13 mol 205 unq 2 iso 0 dist 5.66636 6.8901 9.31158 13.3164 10.8636 9.61492 8.86587 9.43113 4.8668 9.13652 numMergedOcc 0
14 mol 205 unq 3 iso 0 dist 5.66636 6.8901 9.31158 5.4913 5.42503 7.45763 8.86587 9.43113 4.8668 5.8535 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 9.25184 3.84723 6.85824 8.62103 4.29623 6.18308 10.7279 4.73037 7.10826 5.87279 numMergedOcc 0
16 mol 222 unq 0 iso 0 dist 4.90656 4.82768 5.1609 10.8522 6.91863 8.01589 5.89818 3.98604 7.67576 10.3151 numMergedOcc 0
17 mol 222 unq 1 iso 0 dist 4.90656 4.82768 5.1609 10.8522 6.91863 8.01589 9.32543 7.99695 9.82371 8.52017 numMergedOcc 0
18 mol 222 unq 2 iso 0 dist 4.90656 4.82768 5.1609 10.0664 8.26703 7.7699 5.89818 3.98604 7.67576 7.81022 numMergedOcc 0
19 mol 222 unq 3 iso 0 dist 4.90656 4.82768 5.1609 10.0664 8.26703 7.7699 9.32543 7.99695 9.82371 15.7504 numMergedOcc 0
20 mol 222 unq 4 iso 0 dist 4.90656 4.82768 5.1609 7.85877 8.89157 7.21333 5.89818 3.98604 7.67576 7.75656 numMergedOcc 0
21 mol 222 unq 5 iso 0 dist 4.90656 4.82768 5.1609 7.85877 8.89157 7.21333 9.32543 7.99695 9.82371 16.0949 numMergedOcc 0
22 mol 235 unq 0 iso 0 dist 8.1174 5.23741 8.08965 8.48065 4.75609 5.4638 10.8785 6.82702 9.55668 7.60081 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 9.60767 11.6193 5.4557 12.8506 4.02333 6.97229 16.4974 7.26991 7.6595 6.7919 numMergedOcc 0
