0 mol 18 unq 0 iso 0 dist 5.03976 8.35401 6.44368 5.02571 8.52106 11.9465 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 5.03976 8.35401 6.44368 6.78812 6.32451 10.5768 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.36326 8.26412 7.1845 8.64255 7.685 7.6114 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 9.36326 8.94262 9.01438 8.64255 7.685 11.9721 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 9.5209 7.48994 6.49199 12.4304 8.68559 13.8141 numMergedOcc 0
5 mol 33 unq 0 iso 0 dist 8.94949 8.66089 9.4947 6.08005 7.00648 11.3207 numMergedOcc 0
6 mol 33 unq 1 iso 0 dist 8.94949 6.9181 12.488 6.08005 7.00648 12.2097 numMergedOcc 0
7 mol 33 unq 2 iso 0 dist 8.94949 5.84349 14.0108 6.08005 7.00648 11.8372 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 7.13638 8.26586 4.39445 7.33437 8.81638 12.5445 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 7.13638 9.76234 10.7557 7.33437 8.81638 16.6126 numMergedOcc 0
10 mol 64 unq 0 iso 0 dist 8.73104 8.12626 6.16918 4.23724 9.80142 11.38 numMergedOcc 0
11 mol 64 unq 1 iso 0 dist 9.31622 8.12626 8.14214 9.78246 8.68586 11.4345 numMergedOcc 0
12 mol 64 unq 2 iso 0 dist 9.31622 8.12626 8.14214 4.23724 9.54144 11.38 numMergedOcc 0
13 mol 117 unq 0 iso 0 dist 9.77482 5.20001 6.95589 5.17524 6.62561 6.10127 numMergedOcc 0
14 mol 117 unq 1 iso 0 dist 9.77482 5.20001 6.95589 10.7342 7.63616 11.6387 numMergedOcc 0
15 mol 117 unq 2 iso 0 dist 9.0428 5.20001 13.3894 6.3368 7.20326 10.7232 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 7.1093 4.54218 4.22522 10.5394 6.93652 8.07097 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 7.1093 4.54218 4.22522 12.6317 9.54444 11.7578 numMergedOcc 0
18 mol 141 unq 2 iso 0 dist 7.36421 8.36316 4.22522 11.2797 6.93652 8.07097 numMergedOcc 0
19 mol 141 unq 3 iso 0 dist 7.36421 8.36316 4.22522 10.6361 9.54444 11.7578 numMergedOcc 0
20 mol 147 unq 0 iso 0 dist 4.48898 8.73613 7.68412 6.97147 8.33261 11.2941 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 7.82604 9.19831 5.08641 5.49666 9.6668 13.131 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 8.22583 9.19831 10.9122 11.755 7.98142 11.7785 numMergedOcc 0
23 mol 181 unq 2 iso 0 dist 6.62037 7.83476 4.48306 5.49497 7.98142 6.64173 numMergedOcc 0
24 mol 181 unq 3 iso 0 dist 6.21461 7.83476 4.88823 5.49497 7.37327 6.64173 numMergedOcc 0
25 mol 213 unq 0 iso 0 dist 8.6925 9.27411 6.24057 5.69131 8.45368 10.5818 numMergedOcc 0
26 mol 213 unq 1 iso 0 dist 8.6925 9.27411 6.24057 16.447 9.59129 15.3793 numMergedOcc 0
27 mol 213 unq 2 iso 0 dist 8.6925 5.81317 5.9858 5.69131 8.45368 7.94911 numMergedOcc 0
28 mol 213 unq 3 iso 0 dist 8.6925 5.81317 5.9858 16.447 9.59129 15.41 numMergedOcc 0
29 mol 218 unq 0 iso 0 dist 8.03194 5.4767 10.1772 5.09263 8.53199 9.24601 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 5.02756 8.15661 4.03073 5.74363 7.82944 9.35274 numMergedOcc 0
31 mol 225 unq 0 iso 0 dist 8.94219 7.9002 3.92979 10.0712 5.50387 8.1945 numMergedOcc 0
32 mol 233 unq 0 iso 0 dist 7.40764 9.79864 6.80416 7.20791 9.43203 14.726 numMergedOcc 0
33 mol 266 unq 0 iso 0 dist 6.41474 9.1946 5.26429 4.97892 9.02188 12.0634 numMergedOcc 0
