0 mol 24 unq 0 iso 0 dist 8.11143 10.9683 9.41655 13.0211 8.66248 6.60423 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.11143 10.9683 9.41655 16.0384 10.0118 7.83786 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 5.65754 10.6642 9.65174 12.6611 13.5399 4.93188 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 5.65754 10.6642 9.65174 18.5238 15.0923 9.24958 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.85386 16.3451 8.59337 9.89021 6.28792 8.03303 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 8.01266 5.00872 7.87729 13.2395 10.3949 8.65802 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 9.64908 5.51584 9.34689 8.35164 6.35793 6.78038 numMergedOcc 0
7 mol 112 unq 1 iso 0 dist 9.64908 5.51584 9.34689 9.43616 4.69658 6.47042 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 7.4113 9.20674 6.4569 11.756 4.97363 9.7918 numMergedOcc 0
9 mol 114 unq 1 iso 0 dist 8.53631 12.0204 6.4569 8.19156 4.97363 9.7918 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 9.99012 6.36527 7.22 12.703 6.75249 8.41611 numMergedOcc 0
11 mol 143 unq 1 iso 0 dist 5.33772 11.1239 7.22 7.5984 6.75249 8.41611 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 8.09561 12.0433 7.34557 18.2844 10.6994 9.77552 numMergedOcc 0
13 mol 152 unq 1 iso 0 dist 8.09561 12.0433 7.34557 11.3133 4.68615 8.28642 numMergedOcc 0
14 mol 152 unq 2 iso 0 dist 6.68265 12.755 9.48674 13.9365 9.75376 8.35555 numMergedOcc 0
15 mol 152 unq 3 iso 0 dist 7.78842 6.79236 9.48674 13.1463 9.75376 8.35555 numMergedOcc 0
16 mol 158 unq 0 iso 0 dist 9.27714 13.2326 8.06621 15.7182 6.60451 7.88319 numMergedOcc 0
17 mol 162 unq 0 iso 0 dist 9.88912 7.6506 9.56342 9.89142 4.51281 6.20182 numMergedOcc 0
18 mol 163 unq 0 iso 0 dist 9.69093 11.7732 9.40912 6.56115 4.2768 8.38738 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 8.0943 6.90619 9.09585 12.604 10.619 7.28841 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 7.96463 9.6989 8.95728 9.11813 5.89218 6.96521 numMergedOcc 0
21 mol 230 unq 0 iso 0 dist 8.01593 5.02022 6.31092 8.33847 10.043 6.41286 numMergedOcc 0
22 mol 252 unq 0 iso 0 dist 9.09279 11.8314 8.38453 13.2003 9.93981 6.86945 numMergedOcc 0
23 mol 252 unq 1 iso 0 dist 8.99666 6.5841 9.76731 13.9538 17.5547 8.47784 numMergedOcc 0
24 mol 252 unq 2 iso 0 dist 8.99666 6.5841 9.76731 13.306 11.5735 8.66469 numMergedOcc 0
25 mol 253 unq 0 iso 0 dist 6.93942 4.60689 6.3738 8.53729 9.46115 7.77998 numMergedOcc 0
26 mol 253 unq 1 iso 0 dist 9.31626 9.18036 6.3738 8.07341 9.46115 7.77998 numMergedOcc 0
27 mol 282 unq 0 iso 0 dist 6.5515 7.42631 9.9322 10.5797 12.1291 5.23193 numMergedOcc 0
