0 mol 24 unq 0 iso 0 dist 9.01567 6.66749 4.2121 8.91183 6.19899 4.08755 8.92779 7.03544 6.22954 3.53396 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.01567 6.66749 4.2121 8.91183 6.19899 4.08755 9.76111 6.93597 4.11146 5.95865 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.01567 6.66749 4.2121 13.0212 8.49709 6.86136 8.92779 7.03544 6.22954 10.8745 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 9.01567 6.66749 4.2121 13.0212 8.49709 6.86136 9.76111 6.93597 4.11146 3.33439 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 8.4051 12.176 6.72323 10.1698 6.61696 4.08755 6.7846 7.85986 12.2839 9.24731 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 8.4051 12.176 6.72323 10.1698 6.61696 4.08755 8.03955 4.30252 6.22954 3.53396 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 8.4051 12.176 6.72323 13.6174 5.80953 10.0453 6.7846 7.85986 12.2839 11.1587 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 8.4051 12.176 6.72323 13.6174 5.80953 10.0453 8.03955 4.30252 6.22954 8.72577 numMergedOcc 0
8 mol 24 unq 8 iso 0 dist 7.29868 6.66749 6.72323 8.91183 6.61696 4.08755 13.7992 7.85986 12.2839 9.24731 numMergedOcc 0
9 mol 24 unq 9 iso 0 dist 7.29868 6.66749 6.72323 8.91183 6.61696 4.08755 8.92779 4.30252 6.22954 3.53396 numMergedOcc 0
10 mol 24 unq 10 iso 0 dist 7.29868 6.66749 6.72323 5.69214 5.80953 10.0453 13.7992 7.85986 12.2839 11.1587 numMergedOcc 0
11 mol 24 unq 11 iso 0 dist 7.29868 6.66749 6.72323 5.69214 5.80953 10.0453 8.92779 4.30252 6.22954 8.72577 numMergedOcc 0
12 mol 24 unq 12 iso 0 dist 8.60554 14.012 6.72323 14.8647 6.61696 4.08755 13.2846 7.85986 12.2839 9.24731 numMergedOcc 0
13 mol 24 unq 13 iso 0 dist 8.60554 14.012 6.72323 14.8647 6.61696 4.08755 12.3897 4.30252 6.22954 3.53396 numMergedOcc 0
14 mol 24 unq 14 iso 0 dist 8.60554 14.012 6.72323 5.11636 5.80953 10.0453 13.2846 7.85986 12.2839 11.1587 numMergedOcc 0
15 mol 24 unq 15 iso 0 dist 8.60554 14.012 6.72323 5.11636 5.80953 10.0453 12.3897 4.30252 6.22954 8.72577 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 9.82915 10.4987 9.66222 11.9064 5.05893 11.0952 11.9949 8.04853 11.3242 3.65186 numMergedOcc 0
17 mol 85 unq 1 iso 0 dist 9.82915 10.4987 9.66222 11.9064 5.05893 11.0952 13.3089 6.46549 15.4245 5.41777 numMergedOcc 0
18 mol 85 unq 2 iso 0 dist 9.82915 10.4987 9.66222 14.7521 5.71866 12.5181 11.9949 8.04853 11.3242 7.00044 numMergedOcc 0
19 mol 85 unq 3 iso 0 dist 9.82915 10.4987 9.66222 14.7521 5.71866 12.5181 13.3089 6.46549 15.4245 5.85247 numMergedOcc 0
20 mol 91 unq 0 iso 0 dist 9.30539 4.57085 8.66165 12.6799 8.77355 10.6223 4.73184 9.97813 5.21888 9.60912 numMergedOcc 0
21 mol 113 unq 0 iso 0 dist 8.8822 7.27193 6.6317 13.9729 9.30645 9.74974 15.3211 7.40338 13.2601 9.59189 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 8.10291 14.7684 9.83945 4.32342 7.42144 16.2294 8.76709 4.92382 13.8739 5.83839 numMergedOcc 0
23 mol 141 unq 1 iso 0 dist 8.10291 14.7684 9.83945 7.17845 6.27658 15.9806 8.76709 4.92382 13.8739 3.7404 numMergedOcc 0
24 mol 141 unq 2 iso 0 dist 9.97343 9.74444 9.10042 13.4066 6.65731 14.0725 6.45283 9.38036 3.89483 14.5559 numMergedOcc 0
25 mol 141 unq 3 iso 0 dist 9.97343 6.91919 9.75059 13.4066 6.65731 13.1981 6.45283 9.38036 4.1436 14.5559 numMergedOcc 0
26 mol 141 unq 4 iso 0 dist 9.97343 10.1432 6.83404 13.4066 6.65731 3.98068 6.45283 9.38036 12.6017 14.5559 numMergedOcc 0
27 mol 141 unq 5 iso 0 dist 9.70413 10.3716 9.10042 8.54432 6.65731 14.0725 11.3136 9.38036 3.89483 14.5559 numMergedOcc 0
28 mol 141 unq 6 iso 0 dist 9.70413 7.87881 9.75059 8.54432 6.65731 13.1981 11.3136 9.38036 4.1436 14.5559 numMergedOcc 0
29 mol 141 unq 7 iso 0 dist 9.70413 7.27731 6.83404 8.54432 6.65731 3.98068 11.3136 9.38036 12.6017 14.5559 numMergedOcc 0
30 mol 184 unq 0 iso 0 dist 6.42735 8.08596 7.54099 4.08775 7.81263 7.81466 5.03539 7.02762 4.12242 3.74437 numMergedOcc 0
31 mol 194 unq 0 iso 0 dist 8.65535 11.6598 6.1886 10.0756 4.19371 4.002 12.8006 8.43182 13.0087 9.23342 numMergedOcc 0
32 mol 194 unq 1 iso 0 dist 8.65535 11.6598 6.1886 16.4082 9.71015 7.09553 12.8006 8.43182 13.0087 11.7699 numMergedOcc 0
33 mol 232 unq 0 iso 0 dist 8.50102 6.2188 9.78181 9.74344 9.9183 14.876 6.95968 9.78273 12.3206 3.43286 numMergedOcc 0
34 mol 232 unq 1 iso 0 dist 8.50102 12.3508 9.8664 9.74344 9.9183 11.2243 6.95968 9.78273 12.159 3.43286 numMergedOcc 0
35 mol 232 unq 2 iso 0 dist 9.40808 12.5452 9.78181 5.10213 9.9183 14.876 4.04428 9.78273 12.3206 3.43286 numMergedOcc 0
36 mol 232 unq 3 iso 0 dist 9.40808 8.80479 9.8664 5.10213 9.9183 11.2243 4.04428 9.78273 12.159 3.43286 numMergedOcc 0
37 mol 235 unq 0 iso 0 dist 6.36341 5.5163 6.94789 13.089 7.39085 14.2323 4.67058 7.26232 3.66752 14.4239 numMergedOcc 0
38 mol 235 unq 1 iso 0 dist 6.21292 7.77516 6.94789 10.5354 7.39085 14.2323 10.28 7.26232 3.66752 14.4239 numMergedOcc 0
39 mol 235 unq 2 iso 0 dist 9.21736 11.7254 6.94789 11.3865 7.39085 14.2323 13.783 7.26232 3.66752 14.4239 numMergedOcc 0
40 mol 244 unq 0 iso 0 dist 5.50492 7.6169 7.95359 6.1597 6.53416 3.92686 8.49798 9.30179 8.74744 4.99117 numMergedOcc 0
41 mol 244 unq 1 iso 0 dist 5.50492 7.6169 7.95359 6.1597 6.53416 3.92686 9.54706 6.10489 5.98501 7.28456 numMergedOcc 0
42 mol 244 unq 2 iso 0 dist 5.50492 7.6169 7.95359 6.1597 6.53416 3.92686 4.06591 4.4204 5.00596 5.39452 numMergedOcc 0
43 mol 244 unq 3 iso 0 dist 5.50492 5.17744 6.22122 6.1597 6.53416 10.3324 8.49798 9.30179 13.2473 4.99117 numMergedOcc 0
44 mol 244 unq 4 iso 0 dist 5.50492 5.17744 6.22122 6.1597 6.53416 10.3324 9.54706 6.10489 10.1665 7.28456 numMergedOcc 0
45 mol 244 unq 5 iso 0 dist 5.50492 5.17744 6.22122 6.1597 6.53416 10.3324 4.06591 4.4204 5.68434 5.39452 numMergedOcc 0
46 mol 273 unq 0 iso 0 dist 8.83865 12.0136 7.16346 4.24707 7.85836 8.43367 9.32873 9.81919 9.84575 7.37764 numMergedOcc 0
47 mol 273 unq 1 iso 0 dist 8.83865 12.0136 7.16346 8.56043 6.35532 3.78984 9.32873 9.81919 9.84575 7.04946 numMergedOcc 0
48 mol 273 unq 2 iso 0 dist 9.18157 12.1851 7.16346 6.65672 7.85836 8.43367 5.04315 9.81919 9.84575 7.37764 numMergedOcc 0
49 mol 273 unq 3 iso 0 dist 9.18157 12.1851 7.16346 8.81454 6.35532 3.78984 5.04315 9.81919 9.84575 7.04946 numMergedOcc 0
50 mol 274 unq 0 iso 0 dist 8.52587 6.20558 6.88827 16.9539 8.60027 13.3632 12.5154 8.09181 8.87313 10.6981 numMergedOcc 0
51 mol 274 unq 1 iso 0 dist 8.52587 16.3619 9.16942 16.9539 8.60027 5.39432 12.5154 8.09181 6.97575 10.6981 numMergedOcc 0
52 mol 274 unq 2 iso 0 dist 6.39866 6.16703 6.88827 8.87855 8.60027 13.3632 4.60007 8.09181 8.87313 10.6981 numMergedOcc 0
53 mol 274 unq 3 iso 0 dist 6.39866 5.64601 9.16942 8.87855 8.60027 5.39432 4.60007 8.09181 6.97575 10.6981 numMergedOcc 0
