0 mol 26 unq 0 iso 0 dist 9.60699 8.52538 6.79475 16.1259 9.56136 9.06516 22.3208 14.8894 14.1424 9.12845 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 9.26417 13.1473 6.53824 12.0518 4.85556 5.4605 15.0607 12.111 7.11552 9.55118 numMergedOcc 0
2 mol 72 unq 1 iso 0 dist 9.26417 16.7405 7.67686 12.0518 4.85556 6.1906 15.0607 12.111 12.3903 9.55118 numMergedOcc 0
3 mol 72 unq 2 iso 0 dist 8.16985 5.00053 9.14817 7.81344 3.43675 9.76686 6.12361 6.21799 6.11922 5.03251 numMergedOcc 0
4 mol 72 unq 3 iso 0 dist 8.16985 5.00053 9.14817 7.81344 3.43675 9.76686 11.4334 10.9808 9.93049 9.56773 numMergedOcc 0
5 mol 72 unq 4 iso 0 dist 8.16985 5.00053 9.14817 5.49421 5.75711 9.437 6.12361 6.21799 6.11922 7.66093 numMergedOcc 0
6 mol 72 unq 5 iso 0 dist 7.81344 5.00053 9.76686 8.16985 3.43675 9.14817 10.1721 10.7906 6.00418 9.74228 numMergedOcc 0
7 mol 72 unq 6 iso 0 dist 7.81344 5.00053 9.76686 8.16985 3.43675 9.14817 11.6369 9.35457 9.0131 7.12321 numMergedOcc 0
8 mol 72 unq 7 iso 0 dist 7.81344 5.00053 9.76686 8.16985 3.43675 9.14817 6.12361 5.03251 6.11922 6.21799 numMergedOcc 0
9 mol 72 unq 8 iso 0 dist 7.81344 5.00053 9.76686 5.49421 5.26077 9.437 6.12361 5.03251 6.11922 7.66093 numMergedOcc 0
10 mol 72 unq 9 iso 0 dist 7.49245 9.57455 9.76686 10.226 3.43675 9.14817 11.8333 10.7906 6.00418 9.74228 numMergedOcc 0
11 mol 72 unq 10 iso 0 dist 7.49245 9.57455 9.76686 10.226 3.43675 9.14817 13.6461 9.35457 9.0131 7.12321 numMergedOcc 0
12 mol 72 unq 11 iso 0 dist 7.49245 9.57455 9.76686 10.226 3.43675 9.14817 5.43672 5.03251 6.11922 6.21799 numMergedOcc 0
13 mol 72 unq 12 iso 0 dist 7.49245 9.57455 9.76686 8.9225 5.26077 9.437 5.43672 5.03251 6.11922 7.66093 numMergedOcc 0
14 mol 72 unq 13 iso 0 dist 5.49421 5.00053 9.437 8.16985 5.75711 9.14817 10.1721 12.952 6.00418 9.74228 numMergedOcc 0
15 mol 72 unq 14 iso 0 dist 5.49421 5.00053 9.437 8.16985 5.75711 9.14817 11.6369 12.1131 9.0131 7.12321 numMergedOcc 0
16 mol 72 unq 15 iso 0 dist 5.49421 5.00053 9.437 8.16985 5.75711 9.14817 6.12361 7.66093 6.11922 6.21799 numMergedOcc 0
17 mol 72 unq 16 iso 0 dist 5.49421 5.00053 9.437 7.81344 5.26077 9.76686 6.12361 7.66093 6.11922 5.03251 numMergedOcc 0
18 mol 72 unq 17 iso 0 dist 5.49421 5.00053 9.437 7.81344 5.26077 9.76686 11.4334 13.336 9.93049 9.56773 numMergedOcc 0
19 mol 98 unq 0 iso 0 dist 6.74197 10.1356 4.44979 12.3653 6.70343 6.61111 13.9683 9.81956 8.70415 5.10496 numMergedOcc 0
20 mol 98 unq 1 iso 0 dist 6.74197 10.1356 4.44979 12.3653 6.70343 6.61111 17.3037 10.8223 9.74284 5.92242 numMergedOcc 0
21 mol 98 unq 2 iso 0 dist 6.74197 10.1356 4.44979 12.3653 6.70343 6.61111 11.0642 7.54889 10.0962 5.2571 numMergedOcc 0
22 mol 98 unq 3 iso 0 dist 6.74197 10.1356 4.44979 12.3653 6.70343 6.61111 7.71768 7.78931 11.2452 8.7497 numMergedOcc 0
23 mol 112 unq 0 iso 0 dist 7.77418 10.9659 6.12922 12.3351 5.11 8.91262 6.95852 5.56994 6.35364 9.05166 numMergedOcc 0
24 mol 119 unq 0 iso 0 dist 6.88175 10.06 6.55202 14.8889 12.7135 9.08536 20.3425 20.5378 16.7975 8.95212 numMergedOcc 0
25 mol 119 unq 1 iso 0 dist 6.88175 10.06 6.55202 14.8889 12.7135 9.08536 10.6442 11.2897 7.36192 6.99446 numMergedOcc 0
26 mol 119 unq 2 iso 0 dist 6.88175 10.06 6.55202 14.8889 12.7135 9.08536 10.5726 12.31 10.6679 7.64052 numMergedOcc 0
27 mol 134 unq 0 iso 0 dist 7.49352 10.8174 6.57379 9.78764 4.87973 5.73203 16.1534 10.6728 14.0644 9.10524 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 7.49352 10.8174 6.57379 9.78764 4.87973 5.73203 14.3463 7.99477 5.9915 9.00918 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 9.40158 15.6966 9.08687 10.4672 9.64248 9.82327 14.572 14.3724 10.0613 9.07475 numMergedOcc 0
30 mol 238 unq 1 iso 0 dist 9.40158 15.6966 9.08687 10.518 8.33582 7.06768 14.572 14.3724 10.0613 6.99888 numMergedOcc 0
31 mol 238 unq 2 iso 0 dist 9.40158 15.6966 9.08687 10.518 8.33582 7.06768 15.2667 9.7696 5.03393 9.08509 numMergedOcc 0
32 mol 238 unq 3 iso 0 dist 5.41453 5.61491 7.24334 10.7584 11.1752 5.43613 6.81118 8.63015 5.54325 6.99888 numMergedOcc 0
33 mol 238 unq 4 iso 0 dist 5.41453 5.61491 7.24334 10.7584 11.1752 5.43613 7.45873 10.1172 5.17471 9.08509 numMergedOcc 0
34 mol 259 unq 0 iso 0 dist 9.2885 5.4536 8.84648 10.5384 8.0048 6.23661 11.2159 11.7465 5.79468 5.85442 numMergedOcc 0
35 mol 259 unq 1 iso 0 dist 9.2885 5.4536 8.84648 10.5384 8.0048 6.23661 5.43184 8.03219 5.31048 6.9899 numMergedOcc 0
36 mol 267 unq 0 iso 0 dist 4.42902 6.07755 6.32877 10.5017 11.3792 5.08174 5.75453 9.33497 7.11419 8.8293 numMergedOcc 0
37 mol 267 unq 1 iso 0 dist 4.42902 6.07755 6.32877 10.5017 11.3792 5.08174 7.09175 10.3168 6.45566 7.34981 numMergedOcc 0
38 mol 272 unq 0 iso 0 dist 9.21411 8.07198 6.95241 12.1586 9.5745 8.84523 12.809 11.4951 6.64985 6.44147 numMergedOcc 0
