0 mol 19 unq 0 iso 0 dist 7.84393 7.78708 8.01051 9.01721 7.82074 14.2684 4.93362 6.36455 10.2326 5.18512 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 5.87895 9.57974 4.87334 5.75653 7.36323 11.5038 9.6739 9.24958 12.4538 4.33963 numMergedOcc 0
2 mol 71 unq 0 iso 0 dist 8.21553 8.22762 7.16971 5.87956 7.38797 11.7839 11.7226 7.77916 14.6115 6.6504 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.30194 4.24428 5.7113 10.5627 6.19304 11.4799 14.8714 8.73253 13.1821 8.26458 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 9.43616 8.35164 4.8896 10.746 7.71338 11.5121 5.51584 6.47042 6.78038 10.0814 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 9.56867 7.44784 11.5723 9.97256 6.11741 13.8473 4.64486 5.74857 10.0289 6.08806 numMergedOcc 0
6 mol 115 unq 1 iso 0 dist 9.56867 7.44784 11.5723 7.64822 7.88312 7.30858 4.64486 5.74857 10.0289 7.21418 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 7.97208 5.67862 5.00817 12.5576 6.54501 9.5126 11.5403 5.53031 10.1537 5.35679 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 7.97208 5.67862 5.00817 9.52819 6.49416 6.37586 11.5403 5.53031 10.1537 8.46636 numMergedOcc 0
9 mol 204 unq 0 iso 0 dist 7.7292 6.27396 12.5143 13.4646 7.10633 19.1577 12.0796 6.85441 16.2661 8.17229 numMergedOcc 0
10 mol 204 unq 1 iso 0 dist 7.7292 6.27396 12.5143 9.54287 8.51516 13.8351 12.0796 6.85441 16.2661 5.74707 numMergedOcc 0
11 mol 223 unq 0 iso 0 dist 9.94212 7.34316 12.3422 11.4946 8.77153 13.3071 6.33419 6.13306 11.147 6.52273 numMergedOcc 0
12 mol 223 unq 1 iso 0 dist 9.94212 7.34316 12.3422 13.1422 8.6166 18.1103 6.33419 6.13306 11.147 7.12885 numMergedOcc 0
13 mol 230 unq 0 iso 0 dist 9.12305 9.30906 5.46301 9.0274 6.7547 11.5044 9.81615 6.41286 10.5345 6.20661 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 6.36941 9.97357 7.28249 8.3919 9.81562 8.03456 7.05684 8.50331 11.9847 7.22918 numMergedOcc 0
15 mol 236 unq 1 iso 0 dist 6.36941 9.97357 7.28249 4.88785 7.68742 6.84306 7.05684 8.50331 11.9847 9.05842 numMergedOcc 0
16 mol 236 unq 2 iso 0 dist 6.36941 9.97357 7.28249 10.2557 6.27581 9.99038 7.05684 8.50331 11.9847 7.00028 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 7.9357 5.79537 5.30627 8.73372 6.42289 10.1675 11.517 7.99477 10.711 7.42673 numMergedOcc 0
18 mol 258 unq 1 iso 0 dist 7.9357 5.79537 5.30627 8.73372 6.42289 10.1675 5.04382 7.86627 7.93574 6.44209 numMergedOcc 0
19 mol 258 unq 2 iso 0 dist 8.81059 9.67877 17.2075 9.78068 6.42289 17.2071 15.4617 7.99477 23.8967 7.42673 numMergedOcc 0
20 mol 258 unq 3 iso 0 dist 8.81059 9.67877 17.2075 9.78068 6.42289 17.2071 11.0527 7.86627 20.2336 6.44209 numMergedOcc 0
21 mol 258 unq 4 iso 0 dist 8.81059 9.12006 5.30627 9.78068 6.42289 10.1675 15.4617 7.99477 10.711 7.42673 numMergedOcc 0
22 mol 258 unq 5 iso 0 dist 8.81059 9.12006 5.30627 9.78068 6.42289 10.1675 11.0527 7.86627 7.93574 6.44209 numMergedOcc 0
23 mol 272 unq 0 iso 0 dist 6.62923 4.78812 5.40809 11.9042 9.97651 13.2494 14.4134 9.19033 11.9971 10.26 numMergedOcc 0
24 mol 272 unq 1 iso 0 dist 6.62923 4.78812 5.40809 5.27123 8.46116 8.33638 14.4134 9.19033 11.9971 13.5034 numMergedOcc 0
