0 mol 10 unq 0 iso 0 dist 9.03951 5.05805 8.00369 9.93084 6.18431 9.69704 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.03951 5.05805 8.00369 5.10227 9.07726 5.4745 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.3964 10.6642 4.90592 10.4819 6.61696 8.10397 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.3964 10.6642 4.90592 5.61248 5.80953 9.57743 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.3964 8.81498 9.36461 10.4819 6.61696 13.8334 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.3964 8.81498 9.36461 5.61248 5.80953 4.47891 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 8.98417 12.1122 9.5053 6.61393 6.7142 13.4114 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 6.66506 5.67493 6.48232 14.7163 8.96616 10.9746 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 6.66506 5.67493 6.48232 11.5216 6.14542 7.8972 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 6.82707 10.7046 8.39326 4.93697 8.4701 10.4411 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 6.82707 12.2821 6.33741 4.93697 8.4701 11.6119 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 9.18097 11.155 8.70863 8.08787 5.05893 12.7386 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 9.18097 11.155 8.70863 10.4844 5.71866 14.1999 numMergedOcc 0
13 mol 85 unq 2 iso 0 dist 8.83135 15.3247 8.70863 11.053 5.05893 12.7386 numMergedOcc 0
14 mol 85 unq 3 iso 0 dist 8.83135 15.3247 8.70863 7.97629 5.71866 14.1999 numMergedOcc 0
15 mol 162 unq 0 iso 0 dist 6.80226 6.62679 7.58035 4.92282 8.33407 10.2189 numMergedOcc 0
16 mol 162 unq 1 iso 0 dist 6.80226 12.1377 8.21989 4.92282 8.33407 11.1329 numMergedOcc 0
17 mol 171 unq 0 iso 0 dist 6.4751 12.6565 7.32555 15.1472 9.34834 5.70722 numMergedOcc 0
18 mol 171 unq 1 iso 0 dist 6.4751 12.6565 7.32555 10.2839 5.74846 8.34756 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 5.4455 10.3444 6.37788 5.39223 4.19371 5.28603 numMergedOcc 0
20 mol 194 unq 1 iso 0 dist 5.4455 10.3444 6.37788 7.15294 9.71015 10.7058 numMergedOcc 0
21 mol 194 unq 2 iso 0 dist 5.4455 14.1482 8.7028 5.39223 4.19371 11.0713 numMergedOcc 0
22 mol 194 unq 3 iso 0 dist 5.4455 14.1482 8.7028 7.15294 9.71015 16.9177 numMergedOcc 0
23 mol 204 unq 0 iso 0 dist 8.82861 12.0796 5.91727 5.99091 9.48625 9.54203 numMergedOcc 0
24 mol 206 unq 0 iso 0 dist 8.2232 7.55044 9.14486 11.187 8.24419 5.38668 numMergedOcc 0
25 mol 206 unq 1 iso 0 dist 6.07229 5.84258 9.14486 7.49802 8.24419 5.38668 numMergedOcc 0
26 mol 232 unq 0 iso 0 dist 8.27761 5.68442 6.57921 13.0806 9.9183 8.03712 numMergedOcc 0
27 mol 232 unq 1 iso 0 dist 9.25162 4.127 8.28466 12.9179 6.59036 10.0046 numMergedOcc 0
28 mol 266 unq 0 iso 0 dist 9.54381 9.39654 9.53943 9.91008 9.63518 5.67713 numMergedOcc 0
