0 mol 16 unq 0 iso 0 dist 9.76968 12.1754 7.63133 4.2139 6.31718 10.8455 17.519 10.454 6.56335 15.6697 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 5.80023 7.36323 12.3067 8.70141 4.33963 4.93188 9.24958 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.54519 5.80023 7.36323 13.2653 5.54419 12.3067 8.70141 4.33963 9.24958 4.93188 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.11056 10.4744 8.86116 6.9756 8.38394 6.44287 10.9853 5.97304 6.60423 9.0934 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 11.8286 6.20293 8.13395 16.6874 9.06158 9.93832 8.60739 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 11.0096 8.80331 8.13395 16.6874 9.06158 8.60739 9.93832 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 7.19021 4.18584 6.43774 9.0702 7.2846 5.24762 6.15568 5.73693 6.06454 9.44459 numMergedOcc 0
7 mol 45 unq 1 iso 0 dist 7.19021 9.0702 7.2846 4.18584 6.43774 5.24762 6.15568 5.73693 9.44459 6.06454 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 6.58793 10.1919 7.95579 9.21014 6.19965 4.26409 11.4371 5.08358 8.00777 7.1589 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 6.58793 10.1919 7.95579 7.83419 7.66905 10.7229 11.4371 5.08358 8.00777 11.2808 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 6.58793 9.21014 6.19965 10.1919 7.95579 4.26409 11.4371 5.08358 7.1589 8.00777 numMergedOcc 0
11 mol 85 unq 3 iso 0 dist 6.58793 9.21014 6.19965 7.83419 7.66905 6.9948 11.4371 5.08358 7.1589 11.2808 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 8.73648 4.93112 8.58044 9.47324 7.34473 7 10.3897 5.54205 8.89913 10.3189 numMergedOcc 0
13 mol 109 unq 1 iso 0 dist 8.73648 4.93112 8.58044 4.48038 9.97763 6.94915 10.3897 5.54205 8.89913 13.2677 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 7.15985 6.68714 9.60462 6.71889 7.45389 7.05226 10.7968 17.3924 9.92283 14.242 numMergedOcc 0
15 mol 112 unq 1 iso 0 dist 7.15985 6.68714 9.60462 6.71889 7.45389 7.05226 7.98999 3.98564 7.23962 7.30204 numMergedOcc 0
16 mol 112 unq 2 iso 0 dist 7.15985 6.71889 7.45389 6.68714 9.60462 7.05226 7.98999 3.98564 7.30204 7.23962 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 5.02717 11.0268 7.88312 5.28901 7.30858 11.5723 11.1443 7.21418 5.74857 10.0289 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 5.02717 11.0268 7.88312 6.75472 5.83991 8.02349 11.1443 7.21418 5.74857 10.9766 numMergedOcc 0
19 mol 115 unq 2 iso 0 dist 4.98864 10.9437 7.88312 6.59772 6.11741 7.69052 11.2871 7.3094 5.72642 10.9734 numMergedOcc 0
20 mol 115 unq 3 iso 0 dist 7.95871 12.0354 7.88312 4.86477 6.11741 7.69052 14.361 7.3094 5.72642 10.9734 numMergedOcc 0
21 mol 129 unq 0 iso 0 dist 6.38163 10.0961 5.83384 8.61575 9.61051 9.05135 11.14 6.67948 8.03372 15.3413 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 6.31125 5.6098 8.40312 4.29914 7.12972 5.55373 10.1423 5.89022 8.86329 8.71039 numMergedOcc 0
23 mol 131 unq 1 iso 0 dist 6.31125 5.6098 8.40312 5.59449 6.85062 10.7062 10.1423 5.89022 8.86329 11.6142 numMergedOcc 0
24 mol 131 unq 2 iso 0 dist 6.31125 4.29914 7.12972 5.6098 8.40312 5.55373 10.1423 5.89022 8.71039 8.86329 numMergedOcc 0
25 mol 131 unq 3 iso 0 dist 6.31125 4.29914 7.12972 5.6098 8.40312 5.55373 10.5132 9.32969 6.92648 11.4206 numMergedOcc 0
26 mol 131 unq 4 iso 0 dist 6.31125 4.29914 7.12972 5.59449 6.85062 6.63273 10.1423 5.89022 8.71039 11.6142 numMergedOcc 0
27 mol 131 unq 5 iso 0 dist 6.31125 4.29914 7.12972 5.59449 6.85062 6.63273 10.5132 9.32969 6.92648 9.29384 numMergedOcc 0
28 mol 131 unq 6 iso 0 dist 6.31125 5.59449 6.85062 5.6098 8.40312 10.7062 10.5132 9.32969 9.29384 11.4206 numMergedOcc 0
29 mol 131 unq 7 iso 0 dist 6.31125 5.59449 6.85062 4.29914 7.12972 6.63273 10.5132 9.32969 9.29384 6.92648 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 5.82404 10.2385 6.29155 4.64588 6.80239 7.81217 10.8945 5.74088 6.76699 11.1595 numMergedOcc 0
31 mol 133 unq 1 iso 0 dist 5.82404 10.2385 6.29155 5.37072 8.00618 11.965 10.8945 5.74088 6.76699 10.5656 numMergedOcc 0
32 mol 152 unq 0 iso 0 dist 8.07256 10.4039 8.56324 11.1874 6.70283 7.65448 16.5342 9.35627 9.77552 8.28642 numMergedOcc 0
33 mol 152 unq 1 iso 0 dist 8.07256 10.4039 8.56324 8.36099 7.16148 10.6875 16.5342 9.35627 9.77552 13.1536 numMergedOcc 0
34 mol 152 unq 2 iso 0 dist 8.07256 11.1874 6.70283 10.4039 8.56324 7.65448 16.5342 9.35627 8.28642 9.77552 numMergedOcc 0
35 mol 152 unq 3 iso 0 dist 8.07256 11.1874 6.70283 8.36099 7.16148 5.49936 16.5342 9.35627 8.28642 13.1536 numMergedOcc 0
36 mol 205 unq 0 iso 0 dist 5.96555 4.6995 6.03031 10.7091 7.26832 7.38516 10.6084 5.28092 8.44861 5.60393 numMergedOcc 0
37 mol 205 unq 1 iso 0 dist 5.96555 4.6995 6.03031 5.87892 7.80463 8.18714 10.6084 5.28092 8.44861 11.3521 numMergedOcc 0
38 mol 205 unq 2 iso 0 dist 5.96555 10.7091 7.26832 4.6995 6.03031 7.38516 10.6084 5.28092 5.60393 8.44861 numMergedOcc 0
39 mol 205 unq 3 iso 0 dist 5.96555 10.7091 7.26832 5.87892 7.80463 13.8543 10.6084 5.28092 5.60393 11.3521 numMergedOcc 0
40 mol 236 unq 0 iso 0 dist 9.89665 11.247 7.68742 4.38595 6.84306 7.28249 16.2625 9.05842 8.50331 11.9847 numMergedOcc 0
41 mol 236 unq 1 iso 0 dist 5.66569 4.15973 6.27581 11.2013 9.99038 7.28249 8.38439 7.00028 8.50331 11.9847 numMergedOcc 0
42 mol 236 unq 2 iso 0 dist 6.11137 9.01197 6.27581 15.1664 9.99038 7.28249 9.30828 7.00028 8.50331 11.9847 numMergedOcc 0
43 mol 258 unq 0 iso 0 dist 5.73834 6.48867 6.60405 7.52881 6.42289 7.26417 11.329 7.42673 6.70815 7.99477 numMergedOcc 0
44 mol 258 unq 1 iso 0 dist 5.73834 7.52881 6.42289 6.48867 6.60405 7.26417 11.329 7.42673 7.99477 6.70815 numMergedOcc 0
45 mol 258 unq 2 iso 0 dist 5.73834 7.52881 6.42289 6.48867 6.60405 7.26417 11.7075 6.44209 7.86627 11.184 numMergedOcc 0
