0 mol 51 unq 0 iso 0 dist 6.67213 5.49911 9.37125 12.7201 13.6102 8.71029 numMergedOcc 0
1 mol 95 unq 0 iso 0 dist 8.07365 11.9794 7.89797 6.82522 5.33325 7.56534 numMergedOcc 0
2 mol 95 unq 1 iso 0 dist 6.86713 5.36123 6.12086 9.89353 5.69671 7.56534 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 9.23803 5.95276 6.929 5.93206 4.93112 6.66532 numMergedOcc 0
4 mol 122 unq 0 iso 0 dist 8.47907 4.23094 5.94669 8.3907 4.42285 7.23036 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 8.66715 3.84472 6.70271 12.5406 6.26797 9.22459 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 9.00172 3.84472 6.2109 12.5406 9.73435 9.22459 numMergedOcc 0
7 mol 133 unq 2 iso 0 dist 8.95433 14.5262 6.70271 13.6484 6.26797 9.22459 numMergedOcc 0
8 mol 142 unq 0 iso 0 dist 8.86346 13.8363 6.90378 14.6986 7.17402 8.63549 numMergedOcc 0
9 mol 142 unq 1 iso 0 dist 4.93681 10.563 6.90378 11.4403 7.17402 8.63549 numMergedOcc 0
10 mol 154 unq 0 iso 0 dist 6.44195 11.6914 8.62155 16.0026 10.2254 8.22357 numMergedOcc 0
11 mol 172 unq 0 iso 0 dist 7.63635 5.46713 9.73187 12.1426 10.1295 8.68847 numMergedOcc 0
12 mol 172 unq 1 iso 0 dist 9.94649 5.46713 9.8064 12.1426 10.1642 8.68847 numMergedOcc 0
13 mol 196 unq 0 iso 0 dist 9.23836 17.5342 9.99721 21.4716 12.7226 6.76322 numMergedOcc 0
14 mol 264 unq 0 iso 0 dist 7.37999 6.67953 5.99069 15.7908 11.2529 9.74952 numMergedOcc 0
15 mol 264 unq 1 iso 0 dist 7.37999 6.67953 5.99069 10.875 3.93713 9.07879 numMergedOcc 0
16 mol 264 unq 2 iso 0 dist 7.36703 5.84967 5.99069 14.265 11.2529 9.74952 numMergedOcc 0
17 mol 264 unq 3 iso 0 dist 7.36703 5.84967 5.99069 11.0689 3.93713 9.07879 numMergedOcc 0
18 mol 285 unq 0 iso 0 dist 9.82717 8.56772 9.25455 9.33149 4.16039 5.57053 numMergedOcc 0
19 mol 285 unq 1 iso 0 dist 8.33653 16.8132 9.25455 11.4425 4.16039 5.57053 numMergedOcc 0
20 mol 285 unq 2 iso 0 dist 6.44657 10.5523 9.25455 5.77107 4.16039 5.57053 numMergedOcc 0
