0 mol 11 unq 0 iso 0 dist 5.96346 8.68293 13.5125 10.7734 7.98326 18.8128 14.7815 10.9183 23.3956 6.35398 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.96346 6.84216 6.76736 10.7734 7.98326 9.81983 14.7815 10.9183 10.7048 6.35398 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 6.35398 8.01262 12.9584 10.9183 7.98326 18.6918 14.7815 10.7734 22.6864 5.96346 numMergedOcc 0
3 mol 11 unq 3 iso 0 dist 6.35398 6.58046 6.51674 10.9183 7.98326 10.0282 14.7815 10.7734 11.0597 5.96346 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 5.89412 8.4014 5.69755 9.75966 6.03257 11.1524 11.3543 10.1154 15.8123 6.42748 numMergedOcc 0
5 mol 15 unq 1 iso 0 dist 5.89412 8.4014 5.69755 9.75966 6.03257 11.1524 9.88835 4.29582 6.46681 7.48342 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 6.41423 7.7312 5.31883 7.08342 9.95212 12.7679 4.51865 4.64838 4.44441 8.40416 numMergedOcc 0
7 mol 19 unq 1 iso 0 dist 6.41423 7.7312 5.31883 7.08342 9.95212 12.7679 6.864 4.97119 10.0411 7.75618 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 7.33768 7.49157 7.02381 6.66749 8.00171 11.4816 6.86014 4.32034 8.66248 9.41441 numMergedOcc 0
9 mol 24 unq 1 iso 0 dist 7.33768 7.49157 7.02381 6.66749 8.00171 11.4816 11.0194 11.9112 17.01 6.73939 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 7.33768 7.73794 7.18485 6.66749 8.00171 12.7944 6.86014 4.32034 6.73521 9.41441 numMergedOcc 0
11 mol 24 unq 3 iso 0 dist 7.33768 7.73794 7.18485 6.66749 8.00171 12.7944 11.0194 11.9112 17.0408 6.73939 numMergedOcc 0
12 mol 24 unq 4 iso 0 dist 9.01567 7.49157 13.4969 6.66749 4.2121 11.4816 6.86014 8.67951 8.66248 9.41441 numMergedOcc 0
13 mol 24 unq 5 iso 0 dist 9.01567 7.49157 13.4969 6.66749 4.2121 11.4816 11.0194 4.50066 17.01 6.73939 numMergedOcc 0
14 mol 24 unq 6 iso 0 dist 9.01567 7.73794 13.9252 6.66749 4.2121 12.7944 6.86014 8.67951 6.73521 9.41441 numMergedOcc 0
15 mol 24 unq 7 iso 0 dist 9.01567 7.73794 13.9252 6.66749 4.2121 12.7944 11.0194 4.50066 17.0408 6.73939 numMergedOcc 0
16 mol 24 unq 8 iso 0 dist 6.73939 8.23075 12.2839 4.50066 4.2121 12.1223 11.0194 6.66749 13.7992 9.01567 numMergedOcc 0
17 mol 24 unq 9 iso 0 dist 6.73939 8.23075 12.2839 11.9112 8.00171 17.9863 11.0194 6.66749 13.7992 7.33768 numMergedOcc 0
18 mol 24 unq 10 iso 0 dist 6.73939 8.23075 12.2839 5.11617 6.72323 7.85986 5.54419 12.176 6.7846 8.4051 numMergedOcc 0
19 mol 24 unq 11 iso 0 dist 6.73939 8.23075 12.2839 5.11617 6.72323 7.85986 11.0194 6.66749 13.7992 7.29868 numMergedOcc 0
20 mol 24 unq 12 iso 0 dist 6.73939 8.23075 12.2839 5.11617 6.72323 7.85986 13.2433 14.012 13.2846 8.60554 numMergedOcc 0
21 mol 24 unq 13 iso 0 dist 6.73939 4.7841 6.22954 4.50066 4.2121 7.03544 11.0194 6.66749 8.92779 9.01567 numMergedOcc 0
22 mol 24 unq 14 iso 0 dist 6.73939 4.7841 6.22954 11.9112 8.00171 12.7273 11.0194 6.66749 8.92779 7.33768 numMergedOcc 0
23 mol 24 unq 15 iso 0 dist 6.73939 4.7841 6.22954 5.11617 6.72323 4.30252 5.54419 12.176 8.03955 8.4051 numMergedOcc 0
24 mol 24 unq 16 iso 0 dist 6.73939 4.7841 6.22954 5.11617 6.72323 4.30252 11.0194 6.66749 8.92779 7.29868 numMergedOcc 0
25 mol 24 unq 17 iso 0 dist 6.73939 4.7841 6.22954 5.11617 6.72323 4.30252 13.2433 14.012 12.3897 8.60554 numMergedOcc 0
26 mol 24 unq 18 iso 0 dist 7.29868 7.49157 14.1137 6.66749 6.72323 11.4816 6.86014 8.52463 8.66248 9.41441 numMergedOcc 0
27 mol 24 unq 19 iso 0 dist 7.29868 7.49157 14.1137 6.66749 6.72323 11.4816 11.0194 5.11617 17.01 6.73939 numMergedOcc 0
28 mol 24 unq 20 iso 0 dist 7.29868 7.73794 13.4584 6.66749 6.72323 12.7944 6.86014 8.52463 6.73521 9.41441 numMergedOcc 0
29 mol 24 unq 21 iso 0 dist 7.29868 7.73794 13.4584 6.66749 6.72323 12.7944 11.0194 5.11617 17.0408 6.73939 numMergedOcc 0
30 mol 98 unq 0 iso 0 dist 6.65501 7.92856 11.6496 7.06961 6.88901 13.6994 5.08437 4.4057 8.29813 6.7117 numMergedOcc 0
31 mol 98 unq 1 iso 0 dist 6.65501 7.92856 11.6496 7.06961 6.88901 13.6994 6.10456 9.67482 12.7473 4.47349 numMergedOcc 0
32 mol 98 unq 2 iso 0 dist 6.65501 7.92856 11.6496 7.06961 6.88901 13.6994 10.1136 12.0974 15.2088 5.65185 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 6.22122 9.70481 13.4378 6.06566 7.32087 14.4143 10.9639 7.81713 19.3579 6.46704 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 6.22122 9.70481 13.4378 13.0409 8.86197 18.6281 10.9639 7.81713 19.3579 6.59025 numMergedOcc 0
35 mol 232 unq 0 iso 0 dist 9.05071 8.25985 12.159 4.9377 9.8664 9.78273 10.5803 12.3508 6.95968 8.50102 numMergedOcc 0
36 mol 232 unq 1 iso 0 dist 9.05071 8.25985 12.159 4.9377 9.8664 9.78273 8.27212 8.80479 4.04428 9.40808 numMergedOcc 0
37 mol 232 unq 2 iso 0 dist 9.05071 9.27788 8.36223 4.9377 9.8664 11.9664 10.5803 12.3508 10.7798 8.50102 numMergedOcc 0
38 mol 232 unq 3 iso 0 dist 9.05071 9.27788 8.36223 4.9377 9.8664 11.9664 8.27212 8.80479 4.22149 9.40808 numMergedOcc 0
39 mol 237 unq 0 iso 0 dist 9.20822 9.7255 12.5736 10.6582 8.10254 12.0818 18.4477 11.1554 18.3976 9.16003 numMergedOcc 0
40 mol 238 unq 0 iso 0 dist 8.94014 8.94231 13.4894 5.50308 5.92374 9.78013 13.9668 8.1195 14.6306 8.69104 numMergedOcc 0
41 mol 238 unq 1 iso 0 dist 7.02333 8.88652 13.4894 7.11984 5.92374 9.78013 12.8275 8.1195 14.6306 8.69104 numMergedOcc 0
42 mol 238 unq 2 iso 0 dist 8.67864 6.46771 13.4894 7.95232 5.92374 9.78013 10.7456 8.1195 14.6306 8.69104 numMergedOcc 0
43 mol 274 unq 0 iso 0 dist 9.85289 9.83622 5.14522 5.29529 6.88827 9.2199 7.56915 6.20558 4.24652 8.52587 numMergedOcc 0
44 mol 274 unq 1 iso 0 dist 9.85289 9.83622 5.14522 5.29529 6.88827 9.2199 11.3168 6.16703 9.62818 6.39866 numMergedOcc 0
