0 mol 11 unq 0 iso 0 dist 4.61088 5.96346 6.86684 8.68293 7.28643 13.5125 4.10106 6.54358 6.859 9.32171 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 4.61088 5.96346 6.86684 6.84216 9.68636 6.76736 4.10106 6.54358 6.859 9.89425 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.86014 9.01567 8.67951 7.49157 8.66248 13.4969 8.91183 12.5088 6.19899 14.9684 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.86014 9.01567 8.67951 7.49157 8.66248 13.4969 13.0212 15.4457 8.49709 15.887 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 6.86014 9.01567 8.67951 7.73794 6.73521 13.9252 8.91183 12.5088 6.19899 16.0986 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 6.86014 9.01567 8.67951 7.73794 6.73521 13.9252 13.0212 15.4457 8.49709 18.2669 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 6.86014 7.29868 8.52463 7.49157 8.66248 14.1137 8.91183 12.5088 6.61696 14.9684 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 6.86014 7.29868 8.52463 7.49157 8.66248 14.1137 5.69214 7.95042 5.80953 12.089 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 6.86014 7.29868 8.52463 7.73794 6.73521 13.4584 8.91183 12.5088 6.61696 16.0986 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 6.86014 7.29868 8.52463 7.73794 6.73521 13.4584 5.69214 7.95042 5.80953 10.4905 numMergedOcc 0
10 mol 24 unq 8 iso 0 dist 5.54419 6.73939 12.176 8.23075 6.7846 12.2839 15.4313 20.8425 9.85784 21.7392 numMergedOcc 0
11 mol 24 unq 9 iso 0 dist 5.54419 6.73939 12.176 8.23075 6.7846 12.2839 14.1829 19.3627 9.87996 21.4183 numMergedOcc 0
12 mol 24 unq 10 iso 0 dist 5.54419 6.73939 12.176 4.7841 8.03955 6.22954 15.4313 20.8425 9.85784 15.8473 numMergedOcc 0
13 mol 24 unq 11 iso 0 dist 5.54419 6.73939 12.176 4.7841 8.03955 6.22954 14.1829 19.3627 9.87996 15.7273 numMergedOcc 0
14 mol 58 unq 0 iso 0 dist 6.86465 9.92355 5.78774 9.23438 4.59417 8.76454 6.57389 10.2845 9.53438 12.5877 numMergedOcc 0
15 mol 58 unq 1 iso 0 dist 6.35756 7.68678 5.78774 7.17488 4.59417 8.76454 5.6823 10.2845 9.53438 12.5877 numMergedOcc 0
16 mol 72 unq 0 iso 0 dist 8.8178 9.27838 15.434 4.86198 5.21565 13.6186 5.69391 13.6019 7.58875 9.92478 numMergedOcc 0
17 mol 72 unq 1 iso 0 dist 8.8178 9.27838 15.434 4.86198 5.21565 13.6186 5.57624 14.3084 9.52749 9.73762 numMergedOcc 0
18 mol 72 unq 2 iso 0 dist 8.8178 9.27838 15.434 4.86198 5.21565 13.6186 4.03844 12.4827 6.91169 8.77831 numMergedOcc 0
19 mol 72 unq 3 iso 0 dist 9.96708 9.27838 11.6378 4.86198 10.7434 13.6186 5.69391 9.55118 7.58875 9.92478 numMergedOcc 0
20 mol 72 unq 4 iso 0 dist 9.96708 9.27838 11.6378 4.86198 10.7434 13.6186 5.57624 13.641 9.52749 9.73762 numMergedOcc 0
21 mol 72 unq 5 iso 0 dist 9.96708 9.27838 11.6378 4.86198 10.7434 13.6186 4.03844 12.111 6.91169 8.77831 numMergedOcc 0
22 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 7.92856 8.29813 11.6496 10.4782 9.81956 8.46823 17.395 numMergedOcc 0
23 mol 98 unq 1 iso 0 dist 5.08437 6.65501 4.4057 7.92856 8.29813 11.6496 3.9764 5.10496 4.62494 11.36 numMergedOcc 0
24 mol 98 unq 2 iso 0 dist 6.48948 6.65501 7.42446 7.92856 13.2057 11.6496 10.4782 10.8223 8.46823 17.395 numMergedOcc 0
25 mol 98 unq 3 iso 0 dist 6.48948 6.65501 7.42446 7.92856 13.2057 11.6496 3.9764 5.92242 4.62494 11.36 numMergedOcc 0
26 mol 98 unq 4 iso 0 dist 6.10456 6.65501 9.67482 7.92856 12.7473 11.6496 10.4782 7.54889 8.46823 17.395 numMergedOcc 0
27 mol 98 unq 5 iso 0 dist 6.10456 6.65501 9.67482 7.92856 12.7473 11.6496 3.9764 5.2571 4.62494 11.36 numMergedOcc 0
28 mol 113 unq 0 iso 0 dist 5.86073 8.8822 10.1816 7.02367 5.37655 5.40648 13.9729 15.7535 9.30645 12.8182 numMergedOcc 0
29 mol 113 unq 1 iso 0 dist 5.86073 8.8822 10.1816 9.30832 5.46207 15.5674 13.9729 15.7535 9.30645 20.0562 numMergedOcc 0
30 mol 143 unq 0 iso 0 dist 5.99315 7.78652 6.48978 8.99891 9.14188 14.3396 4.78563 5.37047 5.06564 12.5751 numMergedOcc 0
31 mol 143 unq 1 iso 0 dist 5.99315 8.91301 5.20762 8.99891 9.14188 12.476 4.78563 5.37047 7.5373 12.5751 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 7.81386 5.94469 7.77758 8.29467 6.13927 3.63671 5.42158 9.81178 8.06308 10.2602 numMergedOcc 0
33 mol 181 unq 1 iso 0 dist 7.63312 5.94469 12.5387 8.29467 13.2274 3.63671 5.42158 10.6106 8.06308 10.2602 numMergedOcc 0
34 mol 222 unq 0 iso 0 dist 8.01589 7.67576 10.3151 5.1609 6.91863 3.98604 6.84862 14.4477 8.43195 8.88902 numMergedOcc 0
35 mol 222 unq 1 iso 0 dist 8.01589 7.67576 10.3151 5.1609 6.91863 3.98604 9.53117 16.3082 8.23406 9.83916 numMergedOcc 0
36 mol 222 unq 2 iso 0 dist 7.7699 7.67576 7.81022 5.1609 8.26703 3.98604 6.84862 10.0233 8.43195 8.88902 numMergedOcc 0
37 mol 222 unq 3 iso 0 dist 7.7699 7.67576 7.81022 5.1609 8.26703 3.98604 9.53117 11.839 8.23406 9.83916 numMergedOcc 0
38 mol 222 unq 4 iso 0 dist 7.21333 7.67576 7.75656 5.1609 8.89157 3.98604 6.84862 5.56538 8.43195 8.88902 numMergedOcc 0
39 mol 222 unq 5 iso 0 dist 7.21333 7.67576 7.75656 5.1609 8.89157 3.98604 9.53117 7.48954 8.23406 9.83916 numMergedOcc 0
40 mol 231 unq 0 iso 0 dist 7.37839 7.79066 9.0443 9.9868 16.456 10.5016 4.15084 9.97669 9.60504 10.3218 numMergedOcc 0
41 mol 231 unq 1 iso 0 dist 7.37839 7.79066 9.0443 7.3268 6.63423 4.02097 4.15084 9.97669 9.60504 8.48015 numMergedOcc 0
42 mol 231 unq 2 iso 0 dist 8.40182 7.79066 12.1512 9.9868 17.7601 10.5016 4.15084 11.4076 9.60504 10.3218 numMergedOcc 0
43 mol 231 unq 3 iso 0 dist 8.40182 7.79066 12.1512 7.3268 10.3815 4.02097 4.15084 11.4076 9.60504 8.48015 numMergedOcc 0
44 mol 232 unq 0 iso 0 dist 8.27212 9.05071 8.80479 8.25985 4.04428 12.159 5.42461 10.3021 6.59036 11.9458 numMergedOcc 0
45 mol 232 unq 1 iso 0 dist 8.27212 9.05071 8.80479 9.27788 4.22149 8.36223 5.42461 10.3021 6.59036 11.4714 numMergedOcc 0
