0 mol 15 unq 0 iso 0 dist 9.97507 6.82505 5.17568 8.28153 6.49982 3.78082 9.03536 8.38064 10.4158 11.7793 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 4.51865 6.864 7.67038 7.7312 4.44441 10.0411 5.80928 8.4674 4.54938 10.1278 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 6.864 4.51865 7.67038 7.7312 10.0411 4.44441 7.07775 7.20519 10.4091 14.2009 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 6.864 4.51865 7.67038 7.7312 10.0411 4.44441 5.80928 4.54938 8.4674 10.1278 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 6.20293 8.80331 8.13395 9.02471 14.0654 12.6657 5.06502 5.73819 10.5523 13.9823 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 6.20293 8.80331 8.13395 9.02471 14.0654 12.6657 6.45462 8.93915 14.7803 13.2795 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 9.55426 6.81627 9.7274 9.4278 10.5901 7.93183 10.6169 9.4099 15.2973 16.824 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 9.55426 7.32874 5.90225 9.4278 10.5901 10.7675 10.6169 9.4099 11.396 16.824 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 4.86198 10.7434 5.21565 8.24309 9.78528 9.84449 6.62699 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 6.19965 7.95579 4.26409 8.04242 8.18948 5.76272 5.42586 7.97049 11.3023 11.5901 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 6.19965 7.66905 6.9948 8.04242 8.18948 14.113 5.42586 7.97049 7.47541 11.5901 numMergedOcc 0
11 mol 85 unq 2 iso 0 dist 7.66905 7.95579 10.7229 8.04242 14.113 5.76272 5.42586 7.47541 11.3023 11.5901 numMergedOcc 0
12 mol 85 unq 3 iso 0 dist 7.66905 7.95579 10.7229 8.04242 14.113 5.76272 10.1164 5.73196 15.309 17.4114 numMergedOcc 0
13 mol 85 unq 4 iso 0 dist 7.66905 6.19965 6.9948 8.04242 14.113 8.18948 5.42586 7.47541 7.97049 11.5901 numMergedOcc 0
14 mol 85 unq 5 iso 0 dist 7.66905 6.19965 6.9948 8.04242 14.113 8.18948 10.1164 5.73196 11.2656 17.4114 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 6.90986 5.39945 5.67807 5.93278 6.34182 3.98154 10.498 7.11972 11.8863 12.8676 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 6.90986 5.39945 5.67807 6.19918 8.66957 6.61688 10.498 7.11972 11.8863 14.3131 numMergedOcc 0
17 mol 142 unq 0 iso 0 dist 9.2313 5.31024 5.32922 8.04118 4.05822 4.7832 5.50998 7.73169 7.26382 8.39035 numMergedOcc 0
18 mol 142 unq 1 iso 0 dist 9.2313 5.31024 5.32922 8.04118 4.05822 4.7832 11.1395 8.96657 11.0824 11.6454 numMergedOcc 0
19 mol 142 unq 2 iso 0 dist 5.31024 9.2313 5.32922 8.04118 4.7832 4.05822 5.50998 7.26382 7.73169 8.39035 numMergedOcc 0
20 mol 142 unq 3 iso 0 dist 7.73169 7.26382 5.32922 8.39035 4.05822 4.7832 5.50998 9.2313 5.31024 8.04118 numMergedOcc 0
21 mol 142 unq 4 iso 0 dist 7.73169 7.26382 5.32922 8.39035 4.05822 4.7832 5.92693 8.96657 11.0824 11.6454 numMergedOcc 0
22 mol 142 unq 5 iso 0 dist 7.26382 7.73169 5.32922 8.39035 4.7832 4.05822 5.50998 5.31024 9.2313 8.04118 numMergedOcc 0
23 mol 152 unq 0 iso 0 dist 5.87555 8.87437 5.49936 6.79114 4.68615 9.35878 5.42328 6.70283 7.16148 10.338 numMergedOcc 0
24 mol 152 unq 1 iso 0 dist 5.87555 8.87437 5.49936 6.79114 4.68615 9.35878 5.54906 8.67331 8.05741 10.3706 numMergedOcc 0
25 mol 152 unq 2 iso 0 dist 5.87555 8.87437 5.49936 7.59457 4.73288 4.70284 5.42328 6.70283 7.16148 9.00072 numMergedOcc 0
26 mol 152 unq 3 iso 0 dist 5.87555 8.87437 5.49936 7.59457 4.73288 4.70284 5.54906 8.67331 8.05741 7.55419 numMergedOcc 0
27 mol 152 unq 4 iso 0 dist 8.87437 5.87555 5.49936 6.79114 9.35878 4.68615 5.42328 7.16148 6.70283 10.338 numMergedOcc 0
28 mol 152 unq 5 iso 0 dist 8.87437 5.87555 5.49936 6.79114 9.35878 4.68615 5.54906 8.05741 8.67331 10.3706 numMergedOcc 0
29 mol 152 unq 6 iso 0 dist 8.87437 5.87555 5.49936 7.59457 4.70284 4.73288 5.42328 7.16148 6.70283 9.00072 numMergedOcc 0
30 mol 152 unq 7 iso 0 dist 8.87437 5.87555 5.49936 7.59457 4.70284 4.73288 5.54906 8.05741 8.67331 7.55419 numMergedOcc 0
31 mol 152 unq 8 iso 0 dist 6.70283 8.56324 7.65448 9.00072 4.73288 12.2243 5.42328 5.87555 10.399 7.59457 numMergedOcc 0
32 mol 152 unq 9 iso 0 dist 6.70283 8.56324 7.65448 9.00072 4.73288 12.2243 6.4896 8.67331 14.1618 7.55419 numMergedOcc 0
33 mol 152 unq 10 iso 0 dist 6.70283 7.16148 5.49936 9.00072 4.73288 4.70284 5.42328 5.87555 8.87437 7.59457 numMergedOcc 0
34 mol 152 unq 11 iso 0 dist 6.70283 7.16148 5.49936 9.00072 4.73288 4.70284 6.4896 8.67331 8.05741 7.55419 numMergedOcc 0
35 mol 152 unq 12 iso 0 dist 7.16148 8.56324 10.6875 9.00072 4.70284 12.2243 5.42328 8.87437 10.399 7.59457 numMergedOcc 0
36 mol 152 unq 13 iso 0 dist 7.16148 8.56324 10.6875 9.00072 4.70284 12.2243 6.4896 8.05741 14.1618 7.55419 numMergedOcc 0
37 mol 152 unq 14 iso 0 dist 7.16148 6.70283 5.49936 9.00072 4.70284 4.73288 5.42328 8.87437 5.87555 7.59457 numMergedOcc 0
38 mol 152 unq 15 iso 0 dist 7.16148 6.70283 5.49936 9.00072 4.70284 4.73288 6.4896 8.05741 8.67331 7.55419 numMergedOcc 0
39 mol 152 unq 16 iso 0 dist 8.67331 8.05741 5.49936 7.55419 4.73288 4.70284 5.54906 5.87555 8.87437 7.59457 numMergedOcc 0
40 mol 152 unq 17 iso 0 dist 8.67331 8.05741 5.49936 7.55419 4.73288 4.70284 6.4896 6.70283 7.16148 9.00072 numMergedOcc 0
41 mol 152 unq 18 iso 0 dist 8.05741 8.67331 5.49936 7.55419 4.70284 4.73288 5.54906 8.87437 5.87555 7.59457 numMergedOcc 0
42 mol 152 unq 19 iso 0 dist 8.05741 8.67331 5.49936 7.55419 4.70284 4.73288 6.4896 7.16148 6.70283 9.00072 numMergedOcc 0
43 mol 206 unq 0 iso 0 dist 9.774 8.02137 10.4 6.23183 7.83734 8.20841 5.63422 7.7366 11.1804 4.51255 numMergedOcc 0
44 mol 253 unq 0 iso 0 dist 8.31064 7.32223 7.25988 9.19385 6.0222 5.85692 8.02948 6.73034 11.6434 9.1927 numMergedOcc 0
45 mol 253 unq 1 iso 0 dist 8.31064 7.32223 7.25988 7.14243 6.93212 9.00842 8.02948 6.73034 11.6434 9.60694 numMergedOcc 0
46 mol 253 unq 2 iso 0 dist 8.31064 7.32223 7.25988 5.77511 10.2118 11.5574 8.02948 6.73034 11.6434 9.27311 numMergedOcc 0
47 mol 253 unq 3 iso 0 dist 8.31064 7.32223 7.25988 7.81382 12.4811 12.8384 8.02948 6.73034 11.6434 12.3519 numMergedOcc 0
