0 mol 11 unq 0 iso 0 dist 9.53002 8.01262 16.7805 7.27724 13.9627 5.67087 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.53002 6.58046 3.56133 7.85924 5.43238 5.25331 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 8.58657 7.7312 9.61438 4.69858 10.7418 6.38574 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 8.68559 8.91596 4.84198 7.93694 7.18766 5.9972 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 9.20119 8.27463 3.82801 5.67689 8.59109 9.44125 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 8.09058 7.15542 5.59994 4.84988 9.54797 8.44353 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 8.09058 8.89047 7.78417 4.84988 9.54797 6.11249 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 8.09058 8.89003 5.47187 4.84988 9.54797 7.86326 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 6.40841 8.34191 3.8375 4.55117 8.80108 8.88313 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 6.40841 8.34191 3.8375 5.64209 6.50297 7.07522 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 6.40841 6.39747 6.11446 4.55117 8.80108 5.48837 numMergedOcc 0
11 mol 58 unq 3 iso 0 dist 6.40841 6.39747 6.11446 5.64209 6.50297 9.15753 numMergedOcc 0
12 mol 58 unq 4 iso 0 dist 8.63333 9.23438 4.43437 5.92889 7.01363 8.98478 numMergedOcc 0
13 mol 58 unq 5 iso 0 dist 8.89374 7.17488 4.43437 7.05413 7.01363 8.98478 numMergedOcc 0
14 mol 58 unq 6 iso 0 dist 6.46761 6.79356 4.43437 6.61756 7.01363 8.98478 numMergedOcc 0
15 mol 58 unq 7 iso 0 dist 7.58407 6.79356 9.59066 6.61756 10.2688 8.98478 numMergedOcc 0
16 mol 79 unq 0 iso 0 dist 7.87814 5.25027 9.64347 7.50972 9.15469 7.90338 numMergedOcc 0
17 mol 79 unq 1 iso 0 dist 7.87814 4.37025 4.39784 7.50972 9.15469 7.08462 numMergedOcc 0
18 mol 88 unq 0 iso 0 dist 8.66514 9.07128 3.99025 5.90098 7.71582 6.1847 numMergedOcc 0
19 mol 88 unq 1 iso 0 dist 8.66514 6.65615 6.69123 5.90098 7.71582 4.70557 numMergedOcc 0
20 mol 88 unq 2 iso 0 dist 8.66514 6.65615 6.69123 6.95868 13.649 9.08952 numMergedOcc 0
21 mol 88 unq 3 iso 0 dist 9.25235 9.07128 6.08504 5.90098 6.65776 6.1847 numMergedOcc 0
22 mol 88 unq 4 iso 0 dist 9.25235 6.65615 3.77436 5.90098 6.65776 4.70557 numMergedOcc 0
23 mol 88 unq 5 iso 0 dist 9.25235 6.65615 3.77436 6.95868 12.48 9.08952 numMergedOcc 0
24 mol 114 unq 0 iso 0 dist 8.71128 9.93438 5.80637 9.2907 7.36816 9.26486 numMergedOcc 0
25 mol 114 unq 1 iso 0 dist 8.71128 9.93438 5.80637 8.88748 10.1737 7.93956 numMergedOcc 0
26 mol 127 unq 0 iso 0 dist 8.59981 5.39356 6.92548 4.77464 6.3244 7.79077 numMergedOcc 0
27 mol 127 unq 1 iso 0 dist 7.66331 5.01504 6.92548 7.11695 6.3244 7.79077 numMergedOcc 0
28 mol 127 unq 2 iso 0 dist 7.34519 5.39356 5.87751 4.77464 11.7518 7.79077 numMergedOcc 0
29 mol 127 unq 3 iso 0 dist 8.58999 5.01504 5.87751 7.11695 11.7518 7.79077 numMergedOcc 0
30 mol 127 unq 4 iso 0 dist 6.63981 6.80627 5.87751 9.79266 11.7518 7.79077 numMergedOcc 0
31 mol 141 unq 0 iso 0 dist 6.93652 7.46621 5.72856 7.57216 6.2135 6.40751 numMergedOcc 0
32 mol 147 unq 0 iso 0 dist 8.33261 6.73617 6.60281 6.02355 13.2879 9.23589 numMergedOcc 0
33 mol 147 unq 1 iso 0 dist 8.33261 9.03544 9.65163 6.02355 13.2879 9.22196 numMergedOcc 0
34 mol 181 unq 0 iso 0 dist 7.98142 8.29467 9.55459 6.7991 12.2455 6.91878 numMergedOcc 0
35 mol 181 unq 1 iso 0 dist 7.37327 8.29467 7.66761 6.7991 11.691 6.91878 numMergedOcc 0
36 mol 218 unq 0 iso 0 dist 7.18041 6.09255 5.31276 4.54272 10.5829 9.39609 numMergedOcc 0
37 mol 218 unq 1 iso 0 dist 7.17547 6.09255 4.36581 4.54272 8.57853 9.39609 numMergedOcc 0
38 mol 218 unq 2 iso 0 dist 8.53199 7.84952 6.19774 7.47048 6.75035 8.5244 numMergedOcc 0
39 mol 228 unq 0 iso 0 dist 9.42615 9.25785 5.63283 4.81881 7.46689 8.29523 numMergedOcc 0
40 mol 228 unq 1 iso 0 dist 8.06181 9.25785 3.65229 4.81881 8.37287 8.29523 numMergedOcc 0
41 mol 228 unq 2 iso 0 dist 7.77367 9.01231 3.62742 4.75417 8.07174 8.13557 numMergedOcc 0
42 mol 228 unq 3 iso 0 dist 9.06121 9.01231 5.34726 4.75417 7.09766 8.13557 numMergedOcc 0
43 mol 235 unq 0 iso 0 dist 9.58736 8.08965 14.2299 4.65302 11.9287 9.11149 numMergedOcc 0
44 mol 259 unq 0 iso 0 dist 8.37865 9.18798 10.5148 4.99891 11.4462 8.22608 numMergedOcc 0
45 mol 259 unq 1 iso 0 dist 8.37865 8.25897 11.0001 4.99891 11.4462 5.23503 numMergedOcc 0
46 mol 259 unq 2 iso 0 dist 8.37865 8.25897 11.0001 5.32839 9.64797 9.61028 numMergedOcc 0
