0 mol 32 unq 0 iso 0 dist 6.76514 5.31805 4.62858 12.1802 6.68431 7.99969 11.483 7.48825 7.14527 8.68559 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 7.62709 7.29857 5.55096 13.0007 5.54436 9.53378 10.82 8.59109 8.70414 9.43442 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 7.37607 9.31682 9.2902 10.4837 5.33688 6.73347 6.13182 6.5096 7.0313 8.24062 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 6.58062 5.47738 7.1539 5.90776 9.97281 5.37007 11.7423 13.3416 6.85455 7.96555 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 7.81181 7.62766 5.79343 13.6464 8.88748 6.84011 11.0164 10.1737 9.23527 8.71128 numMergedOcc 0
5 mol 156 unq 0 iso 0 dist 9.22228 10.5549 7.30946 13.7939 5.07967 7.30357 20.4994 12.2304 11.9671 7.36119 numMergedOcc 0
6 mol 156 unq 1 iso 0 dist 9.40225 5.02458 5.81122 9.19499 7.29758 9.44367 11.9162 6.90155 10.143 9.36805 numMergedOcc 0
7 mol 156 unq 2 iso 0 dist 7.49255 3.98813 5.81122 12.0499 7.29758 9.44367 9.42317 6.90155 10.143 9.36805 numMergedOcc 0
8 mol 156 unq 3 iso 0 dist 4.94012 6.29145 5.81122 10.0213 7.29758 9.44367 4.71629 6.90155 10.143 9.36805 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 7.88787 7.23046 5.95304 14.2552 8.25067 8.90963 9.91634 8.20656 4.43678 6.94688 numMergedOcc 0
10 mol 181 unq 1 iso 0 dist 7.88787 7.23046 5.95304 14.2552 8.25067 8.90963 13.2318 9.40622 6.03415 6.71012 numMergedOcc 0
11 mol 181 unq 2 iso 0 dist 9.30874 6.56225 9.06217 10.3907 5.86342 7.99195 7.55781 10.5561 4.69841 7.20046 numMergedOcc 0
12 mol 181 unq 3 iso 0 dist 9.30874 6.56225 9.06217 10.3907 5.86342 7.99195 12.8388 11.7007 7.23063 7.13543 numMergedOcc 0
13 mol 181 unq 4 iso 0 dist 5.54873 6.56225 7.13252 10.3907 9.14057 7.99195 7.55781 9.94131 4.69841 7.20046 numMergedOcc 0
14 mol 181 unq 5 iso 0 dist 5.54873 6.56225 7.13252 10.3907 9.14057 7.99195 12.8388 12.8673 7.23063 7.13543 numMergedOcc 0
15 mol 181 unq 6 iso 0 dist 9.7281 12.6646 8.9289 13.7928 13.3389 5.9176 10.4024 11.1129 5.60306 6.93764 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 6.04427 12.3328 8.08737 10.6043 7.67202 9.51597 5.56344 4.55996 6.99977 8.19953 numMergedOcc 0
17 mol 224 unq 1 iso 0 dist 6.33797 5.76647 8.08737 12.0013 7.67202 9.51597 7.21175 4.55996 6.99977 8.19953 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 6.37335 7.46856 7.17337 8.89211 8.78722 8.50102 6.12197 10.3168 10.9886 7.07392 numMergedOcc 0
19 mol 232 unq 1 iso 0 dist 8.66693 5.53537 7.17337 12.9697 8.78722 8.50102 16.0143 10.3168 10.9886 7.07392 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 7.90344 5.11183 8.90076 5.67917 5.11565 7.57812 10.761 14.5719 10.3147 9.90142 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 7.90344 5.11183 8.90076 12.6253 11.0401 9.24557 12.8735 16.2894 10.3809 9.29858 numMergedOcc 0
22 mol 238 unq 2 iso 0 dist 7.90344 6.32646 6.62002 5.67917 5.11565 8.69104 10.761 14.5719 15.6823 9.90142 numMergedOcc 0
23 mol 238 unq 3 iso 0 dist 9.83326 15.2051 8.09718 18.9705 13.171 7.57812 25.4365 17.8749 10.3147 9.90142 numMergedOcc 0
24 mol 238 unq 4 iso 0 dist 9.83326 15.2051 8.09718 21.27 11.9142 9.24557 25.2926 16.7658 10.3809 9.29858 numMergedOcc 0
25 mol 238 unq 5 iso 0 dist 9.83326 10.3525 6.73446 18.9705 13.171 8.69104 25.4365 17.8749 15.6823 9.90142 numMergedOcc 0
26 mol 238 unq 6 iso 0 dist 6.19514 13.5391 8.09718 16.4916 13.171 7.57812 23.0885 17.8749 10.3147 9.90142 numMergedOcc 0
27 mol 238 unq 7 iso 0 dist 6.19514 13.5391 8.09718 15.8206 11.9142 9.24557 22.3475 16.7658 10.3809 9.29858 numMergedOcc 0
28 mol 238 unq 8 iso 0 dist 6.19514 9.75263 6.73446 16.4916 13.171 8.69104 23.0885 17.8749 15.6823 9.90142 numMergedOcc 0
