0 mol 29 unq 0 iso 0 dist 6.73481 9.12482 6.31736 9.50033 7.50258 12.5611 12.0262 7.34641 10.7551 5.36278 numMergedOcc 0
1 mol 67 unq 0 iso 0 dist 8.34804 6.23298 10.2575 10.7182 8.27009 11.1591 14.4837 10.6111 12.381 6.04303 numMergedOcc 0
2 mol 67 unq 1 iso 0 dist 8.34804 6.23298 10.2575 10.7182 8.27009 11.1591 9.59265 6.9953 7.28199 6.12267 numMergedOcc 0
3 mol 87 unq 0 iso 0 dist 6.97882 5.87906 5.6513 6.27329 5.62336 8.29967 9.4868 5.38943 7.41574 5.63748 numMergedOcc 0
4 mol 87 unq 1 iso 0 dist 9.4868 5.87906 7.41574 15.7737 9.90256 16.1361 15.7638 6.69898 13.4042 7.57471 numMergedOcc 0
5 mol 87 unq 2 iso 0 dist 9.4868 5.87906 7.41574 6.27329 5.63748 8.29967 6.97882 5.38943 5.6513 5.62336 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 9.34752 9.2167 12.8972 10.0813 5.2184 15.8979 10.7186 4.76384 12.2194 9.84762 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 9.34752 6.67306 5.7998 10.0813 5.2184 9.53895 10.7186 4.76384 5.81849 9.84762 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.96416 9.63488 15.8182 5.9683 5.79195 14.5752 7.17051 12.1681 13.6469 9.2759 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 9.96416 9.63488 15.8182 5.9683 5.79195 14.5752 5.9962 9.34083 6.63023 8.76088 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 7.17051 9.63488 13.6469 5.9683 9.2759 14.5752 9.96416 12.1681 15.8182 5.79195 numMergedOcc 0
11 mol 133 unq 3 iso 0 dist 7.17051 9.63488 13.6469 5.9683 9.2759 14.5752 5.9962 11.2107 6.63023 8.76088 numMergedOcc 0
12 mol 133 unq 4 iso 0 dist 5.9962 9.63488 6.63023 5.9683 8.76088 14.5752 9.96416 9.34083 15.8182 5.79195 numMergedOcc 0
13 mol 133 unq 5 iso 0 dist 5.9962 9.63488 6.63023 5.9683 8.76088 14.5752 7.17051 11.2107 13.6469 9.2759 numMergedOcc 0
14 mol 133 unq 6 iso 0 dist 8.61448 9.31907 6.63023 13.8877 8.76088 14.5752 15.6986 9.34083 15.8182 5.79195 numMergedOcc 0
15 mol 133 unq 7 iso 0 dist 8.61448 9.31907 6.63023 13.8877 8.76088 14.5752 18.0226 11.2107 13.6469 9.2759 numMergedOcc 0
16 mol 139 unq 0 iso 0 dist 5.77343 8.27507 6.5333 4.19005 8.78382 8.66615 10.5546 9.781 10.5769 9.70154 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 8.40718 5.67196 11.2342 12.4189 6.20044 15.675 12.2846 8.63339 13.3344 6.62514 numMergedOcc 0
18 mol 204 unq 1 iso 0 dist 8.40718 5.67196 11.2342 12.4189 6.20044 15.675 17.6118 11.09 17.9624 9.41996 numMergedOcc 0
19 mol 250 unq 0 iso 0 dist 5.43868 7.55313 7.05949 9.96947 8.51703 15.3584 9.80833 6.53265 13.2963 5.07895 numMergedOcc 0
20 mol 250 unq 1 iso 0 dist 5.43868 8.62074 4.69451 9.96947 8.51703 11.4678 9.80833 6.53265 10.0219 5.07895 numMergedOcc 0
21 mol 250 unq 2 iso 0 dist 9.80833 7.55313 13.2963 9.96947 5.07895 15.3584 5.43868 6.53265 7.05949 8.51703 numMergedOcc 0
22 mol 250 unq 3 iso 0 dist 9.80833 8.62074 10.0219 9.96947 5.07895 11.4678 5.43868 6.53265 4.69451 8.51703 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 9.17911 6.18894 11.4659 13.8539 7.25618 15.748 14.4126 7.64421 13.3046 8.70193 numMergedOcc 0
24 mol 258 unq 1 iso 0 dist 9.52903 9.4886 12.9877 9.6053 7.25618 16.7565 12.3615 7.64421 14.1388 8.70193 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 9.36806 9.33447 5.69904 4.39397 9.39714 11.0568 10.3592 13.1611 14.5953 6.57444 numMergedOcc 0
26 mol 266 unq 1 iso 0 dist 7.51446 3.90274 5.69904 9.47559 9.39714 11.0568 14.0391 13.1611 14.5953 6.57444 numMergedOcc 0
27 mol 266 unq 2 iso 0 dist 7.51446 7.49024 11.0588 9.47559 9.39714 14.1312 14.0391 13.1611 20.0985 6.57444 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 7.47179 8.34389 10.9407 6.53276 6.45597 13.1573 10.6184 5.69849 10.6863 9.18785 numMergedOcc 0
29 mol 288 unq 0 iso 0 dist 7.47179 8.34389 10.9407 6.53276 6.45597 13.1573 10.6184 5.69849 10.6863 9.18785 numMergedOcc 0
30 mol 289 unq 0 iso 0 dist 7.47179 8.34389 10.9407 6.53276 6.45597 13.1573 10.6184 5.69849 10.6863 9.18785 numMergedOcc 0
