0 mol 16 unq 0 iso 0 dist 9.04834 8.17898 10.2656 6.05535 4.7319 11.0958 12.0005 16.3417 7.03948 16.2803 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 4.24428 6.30194 5.7113 6.58444 5.93252 11.379 5.14919 5.64598 4.65521 9.77992 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 6.30194 4.24428 5.7113 10.5627 6.19304 11.4799 5.14919 4.65521 5.64598 7.41074 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 7.44784 9.56867 11.5723 7.64822 7.30858 7.88312 7.97477 11.695 6.99777 11.7126 numMergedOcc 0
4 mol 115 unq 1 iso 0 dist 7.44784 9.56867 11.5723 7.64822 7.30858 7.88312 6.58038 10.0603 9.14376 4.62962 numMergedOcc 0
5 mol 127 unq 0 iso 0 dist 6.65963 8.62711 7.30196 10.345 8.14887 9.30299 13.376 11.7714 9.81878 4.77464 numMergedOcc 0
6 mol 132 unq 0 iso 0 dist 6.2403 8.34869 4.35917 6.04014 7.7059 11.5751 6.58856 6.03703 7.61505 9.92344 numMergedOcc 0
7 mol 132 unq 1 iso 0 dist 6.495 9.43748 4.35917 10.0823 7.7059 11.5751 10.343 6.03703 7.61505 9.92344 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 5.67862 7.97208 5.00817 9.52819 6.37586 6.49416 6.30187 5.42582 8.6355 5.41704 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 5.67862 7.97208 5.00817 12.4156 9.71307 12.5075 6.30187 5.42582 8.6355 6.17103 numMergedOcc 0
10 mol 134 unq 2 iso 0 dist 7.97208 5.67862 5.00817 12.5576 6.54501 9.5126 6.30187 8.6355 5.42582 10.1448 numMergedOcc 0
11 mol 134 unq 3 iso 0 dist 7.97208 5.67862 5.00817 9.52819 6.49416 6.37586 6.30187 8.6355 5.42582 5.41704 numMergedOcc 0
12 mol 175 unq 0 iso 0 dist 9.45659 6.73365 5.35493 5.73338 6.57069 5.6234 7.92448 11.5506 9.0664 5.28109 numMergedOcc 0
13 mol 236 unq 0 iso 0 dist 9.97357 6.36941 7.28249 8.3919 8.03456 9.81562 11.4732 7.17676 5.34718 11.8759 numMergedOcc 0
14 mol 236 unq 1 iso 0 dist 9.97357 6.36941 7.28249 4.88785 6.84306 7.68742 11.4732 7.17676 5.34718 11.3552 numMergedOcc 0
15 mol 236 unq 2 iso 0 dist 9.97357 6.36941 7.28249 10.2557 9.99038 6.27581 11.4732 7.17676 5.34718 6.04825 numMergedOcc 0
16 mol 236 unq 3 iso 0 dist 9.97357 6.36941 7.28249 14.6755 9.78037 13.499 11.4732 7.17676 5.34718 12.6468 numMergedOcc 0
17 mol 236 unq 4 iso 0 dist 9.97357 6.36941 7.28249 16.5918 8.35971 11.2141 11.4732 7.17676 5.34718 6.40312 numMergedOcc 0
18 mol 236 unq 5 iso 0 dist 6.36941 9.97357 7.28249 8.3919 9.81562 8.03456 11.4732 5.34718 7.17676 11.8759 numMergedOcc 0
19 mol 236 unq 6 iso 0 dist 6.36941 9.97357 7.28249 8.3919 9.81562 8.03456 14.1057 10.5713 6.68463 9.07822 numMergedOcc 0
20 mol 236 unq 7 iso 0 dist 6.36941 9.97357 7.28249 4.88785 7.68742 6.84306 11.4732 5.34718 7.17676 11.3552 numMergedOcc 0
21 mol 236 unq 8 iso 0 dist 6.36941 9.97357 7.28249 4.88785 7.68742 6.84306 14.1057 10.5713 6.68463 11.6837 numMergedOcc 0
22 mol 236 unq 9 iso 0 dist 6.36941 9.97357 7.28249 10.2557 6.27581 9.99038 11.4732 5.34718 7.17676 6.04825 numMergedOcc 0
23 mol 236 unq 10 iso 0 dist 6.36941 9.97357 7.28249 10.2557 6.27581 9.99038 14.1057 10.5713 6.68463 8.8265 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 7.98022 8.89538 13.0839 6.3873 5.72887 10.3007 13.2905 14.1514 6.77463 11.0401 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 7.98022 8.89538 13.0839 6.3873 5.72887 10.3007 10.4286 16.5748 7.2766 11.9142 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 8.81059 9.67877 17.2075 9.78068 6.42289 17.2071 13.6436 21.9033 6.49982 20.5341 numMergedOcc 0
27 mol 272 unq 0 iso 0 dist 4.78812 6.62923 5.40809 5.27123 8.33638 8.46116 6.99865 6.73206 9.09992 5.63139 numMergedOcc 0
28 mol 272 unq 1 iso 0 dist 4.78812 6.62923 5.40809 5.27123 8.33638 8.46116 10.3424 10.1966 6.16449 8.52877 numMergedOcc 0
29 mol 272 unq 2 iso 0 dist 6.62923 4.78812 5.40809 11.9042 9.97651 13.2494 6.99865 9.09992 6.73206 10.841 numMergedOcc 0
30 mol 272 unq 3 iso 0 dist 6.62923 4.78812 5.40809 5.27123 8.46116 8.33638 6.99865 9.09992 6.73206 5.63139 numMergedOcc 0
31 mol 282 unq 0 iso 0 dist 6.84554 9.51581 4.66602 9.67023 8.76532 6.33524 10.8603 10.4802 7.32347 6.3384 numMergedOcc 0
