0 mol 18 unq 0 iso 0 dist 9.04157 9.99878 9.7728 10.7203 3.17053 8.35401 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 7.52145 9.74984 5.78231 12.8343 5.33785 7.48994 numMergedOcc 0
2 mol 32 unq 1 iso 0 dist 8.35776 11.3409 5.78231 9.16481 5.33785 7.48994 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 9.80453 12.4087 9.07283 14.2434 4.48872 9.95208 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 6.0827 4.38006 6.58981 5.48283 3.73834 8.09973 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 5.61831 4.63832 8.63792 5.65006 3.35924 8.25047 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 9.73305 10.3096 7.81118 9.80945 5.85766 7.94467 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 4.30961 4.86796 5.81859 10.1183 9.79375 5.93561 numMergedOcc 0
8 mol 109 unq 1 iso 0 dist 4.30961 4.86796 5.81859 5.15951 3.54756 5.33967 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 4.60192 4.87865 5.94465 9.57343 9.7683 5.20001 numMergedOcc 0
10 mol 123 unq 0 iso 0 dist 7.49032 9.0296 8.35926 13.8007 10.3919 6.49766 numMergedOcc 0
11 mol 123 unq 1 iso 0 dist 7.04627 6.33531 8.35926 12.0877 10.3919 6.49766 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 9.91021 8.63314 8.42277 17.0709 12.7725 8.62413 numMergedOcc 0
13 mol 129 unq 1 iso 0 dist 9.91021 8.63314 8.42277 16.4624 12.5711 8.4375 numMergedOcc 0
14 mol 129 unq 2 iso 0 dist 9.91021 8.63314 8.42277 12.8019 9.39617 6.93102 numMergedOcc 0
15 mol 129 unq 3 iso 0 dist 5.5917 4.81238 8.42277 10.4891 12.7725 8.62413 numMergedOcc 0
16 mol 129 unq 4 iso 0 dist 5.5917 4.81238 8.42277 11.7532 12.5711 8.4375 numMergedOcc 0
17 mol 129 unq 5 iso 0 dist 5.5917 4.81238 8.42277 9.87656 9.39617 6.93102 numMergedOcc 0
18 mol 129 unq 6 iso 0 dist 5.24806 4.81238 6.26653 10.4891 10.2785 8.62413 numMergedOcc 0
19 mol 129 unq 7 iso 0 dist 5.24806 4.81238 6.26653 11.7532 9.49478 8.4375 numMergedOcc 0
20 mol 129 unq 8 iso 0 dist 5.24806 4.81238 6.26653 9.87656 6.48525 6.93102 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 9.76929 7.66679 7.45508 11.0243 3.13463 6.58055 numMergedOcc 0
22 mol 243 unq 0 iso 0 dist 8.35328 5.23854 7.39884 7.42359 7.66826 7.13476 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 7.96707 5.22713 6.05363 7.37164 7.98095 7.51385 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 7.96707 5.22713 6.05363 7.37164 7.98095 7.51385 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 7.96707 5.22713 6.05363 7.37164 7.98095 7.51385 numMergedOcc 0
26 mol 294 unq 0 iso 0 dist 6.82335 11.0879 8.81999 13.0435 8.14029 8.26112 numMergedOcc 0
27 mol 294 unq 1 iso 0 dist 9.14005 14.7951 8.81999 16.1075 8.14029 8.26112 numMergedOcc 0
