0 mol 16 unq 0 iso 0 dist 9.04834 8.17898 10.2656 6.05535 4.7319 11.0958 5.37568 7.65889 6.42835 6.86055 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.17898 9.04834 10.2656 5.72175 5.05803 11.6856 5.37568 6.42835 7.65889 5.01101 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 8.17898 9.04834 10.2656 5.72175 5.05803 11.6856 9.62324 6.57331 13.1847 4.65873 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 5.87895 9.57974 4.87334 5.75653 7.36323 11.5038 6.87351 8.87744 10.7404 6.28159 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 5.87895 9.57974 4.87334 5.75653 7.36323 11.5038 7.79018 7.27472 9.11445 5.50396 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 9.10915 7.02352 9.21892 9.73304 9.67592 13.3406 6.24019 9.86334 12.1389 5.16015 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.30194 4.24428 5.7113 10.5627 6.19304 11.4799 10.7557 8.68662 11.6739 6.20232 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 6.30194 4.24428 5.7113 10.5627 6.19304 11.4799 11.1632 7.4369 10.9476 5.70116 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 9.43616 8.35164 4.8896 10.746 7.71338 11.5121 6.13615 8.47988 9.02706 6.95317 numMergedOcc 0
9 mol 112 unq 1 iso 0 dist 9.43616 8.35164 4.8896 10.746 7.71338 11.5121 4.49971 8.0427 9.39168 7.57713 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 7.44784 9.56867 11.5723 7.64822 7.30858 7.88312 6.3642 6.04595 11.8378 5.03039 numMergedOcc 0
11 mol 127 unq 0 iso 0 dist 8.62711 6.65963 7.30196 10.345 9.30299 8.14887 9.74982 6.08673 12.1234 12.8087 numMergedOcc 0
12 mol 132 unq 0 iso 0 dist 6.2403 8.34869 4.35917 6.04014 7.7059 11.5751 11.6543 6.89918 7.89457 12.9631 numMergedOcc 0
13 mol 132 unq 1 iso 0 dist 6.495 9.43748 4.35917 10.0823 7.7059 11.5751 7.05332 6.89918 7.89457 12.9631 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 5.67862 7.97208 5.00817 9.52819 6.37586 6.49416 7.77359 9.33924 9.55584 6.95573 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 5.67862 7.97208 5.00817 9.52819 6.37586 6.49416 10.8891 7.93372 11.988 8.06642 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 5.67862 7.97208 5.00817 12.4156 9.71307 12.5075 7.77359 9.33924 9.55584 10.2026 numMergedOcc 0
17 mol 134 unq 3 iso 0 dist 5.67862 7.97208 5.00817 12.4156 9.71307 12.5075 10.8891 7.93372 11.988 4.00092 numMergedOcc 0
18 mol 204 unq 0 iso 0 dist 7.7292 6.27396 12.5143 13.4646 7.10633 19.1577 5.99091 7.9133 11.6352 10.7169 numMergedOcc 0
19 mol 204 unq 1 iso 0 dist 7.7292 6.27396 12.5143 9.54287 8.51516 13.8351 5.99091 7.9133 11.6352 5.57347 numMergedOcc 0
20 mol 223 unq 0 iso 0 dist 9.94212 7.34316 12.3422 11.4946 8.77153 13.3071 8.1388 6.42257 9.67663 4.04036 numMergedOcc 0
21 mol 223 unq 1 iso 0 dist 9.94212 7.34316 12.3422 11.4946 8.77153 13.3071 14.288 9.33543 19.8479 13.1538 numMergedOcc 0
22 mol 223 unq 2 iso 0 dist 9.94212 7.34316 12.3422 13.1422 8.6166 18.1103 8.1388 6.42257 9.67663 9.47076 numMergedOcc 0
23 mol 223 unq 3 iso 0 dist 9.94212 7.34316 12.3422 13.1422 8.6166 18.1103 14.288 9.33543 19.8479 5.39728 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 6.36941 9.97357 7.28249 8.3919 9.81562 8.03456 5.3331 9.3206 10.1317 4.27181 numMergedOcc 0
25 mol 236 unq 1 iso 0 dist 6.36941 9.97357 7.28249 4.88785 7.68742 6.84306 5.3331 9.3206 10.1317 4.89609 numMergedOcc 0
26 mol 236 unq 2 iso 0 dist 6.36941 9.97357 7.28249 10.2557 6.27581 9.99038 5.3331 9.3206 10.1317 10.5774 numMergedOcc 0
27 mol 276 unq 0 iso 0 dist 5.30976 8.28881 8.56707 7.38126 9.8993 10.033 3.87012 8.6759 11.298 9.39944 numMergedOcc 0
28 mol 276 unq 1 iso 0 dist 5.30976 8.28881 8.56707 6.39319 6.87396 12.6292 3.87012 8.6759 11.298 8.26321 numMergedOcc 0
