0 mol 43 unq 0 iso 0 dist 8.25915 11.2139 9.02471 18.6502 12.6657 8.80331 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.25915 11.2139 9.02471 16.7083 14.0654 6.20293 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 8.93792 6.6796 7.39848 13.3486 9.86609 8.80331 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.8173 10.1233 7.37171 18.6799 15.1432 8.70481 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.22903 7.35568 9.01812 13.213 8.37717 7.95579 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 9.27633 12.4767 9.07128 13.3704 10.8406 9.36773 numMergedOcc 0
6 mol 102 unq 0 iso 0 dist 9.49592 10.2218 5.54256 12.8661 3.48119 7.36792 numMergedOcc 0
7 mol 102 unq 1 iso 0 dist 5.88034 8.17186 5.54256 9.10229 3.48119 7.36792 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 6.77638 5.15286 5.92733 10.2741 6.00473 9.28393 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 6.30568 7.00572 5.78814 11.0972 6.12885 6.5107 numMergedOcc 0
10 mol 142 unq 0 iso 0 dist 5.79144 13.1936 8.04118 7.57458 4.05822 9.2313 numMergedOcc 0
11 mol 142 unq 1 iso 0 dist 5.79144 13.1936 8.04118 10.5524 4.7832 5.31024 numMergedOcc 0
12 mol 142 unq 2 iso 0 dist 5.79144 12.288 8.39035 7.57458 4.05822 7.73169 numMergedOcc 0
13 mol 142 unq 3 iso 0 dist 5.79144 12.288 8.39035 10.5524 4.7832 7.26382 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 8.78397 13.1754 6.79114 13.3083 4.68615 5.87555 numMergedOcc 0
15 mol 152 unq 1 iso 0 dist 8.78397 13.1754 6.79114 16.8808 9.35878 8.87437 numMergedOcc 0
16 mol 169 unq 0 iso 0 dist 8.05059 5.19746 8.34216 11.6754 11.1511 8.49164 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 5.32465 6.4623 7.13783 10.156 13.3822 7.26832 numMergedOcc 0
18 mol 231 unq 0 iso 0 dist 8.27156 9.0084 9.9868 15.5078 16.456 7.37839 numMergedOcc 0
19 mol 231 unq 1 iso 0 dist 8.27156 9.0084 9.9868 17.1148 17.7601 8.40182 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 9.69133 4.90814 8.25985 11.2186 4.04428 8.27212 numMergedOcc 0
21 mol 253 unq 0 iso 0 dist 9.137 9.56248 5.77511 14.8393 11.5574 7.32223 numMergedOcc 0
22 mol 253 unq 1 iso 0 dist 9.137 9.56248 5.77511 17.3894 10.2118 8.31064 numMergedOcc 0
23 mol 253 unq 2 iso 0 dist 9.137 16.4324 9.27311 17.3894 10.2118 6.73034 numMergedOcc 0
24 mol 253 unq 3 iso 0 dist 8.0127 9.56248 7.81382 14.8393 12.8384 7.32223 numMergedOcc 0
25 mol 253 unq 4 iso 0 dist 8.0127 9.56248 7.81382 17.3894 12.4811 8.31064 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 8.75224 13.3027 8.25897 10.0766 5.97386 5.30224 numMergedOcc 0
27 mol 265 unq 0 iso 0 dist 6.80043 7.8929 5.7944 13.4214 7.71667 8.4218 numMergedOcc 0
28 mol 280 unq 0 iso 0 dist 8.87017 4.95798 6.01897 11.1402 6.87492 6.53701 numMergedOcc 0
29 mol 280 unq 1 iso 0 dist 8.87017 4.95798 6.01897 8.85762 3.51781 6.0664 numMergedOcc 0
