0 mol 19 unq 0 iso 0 dist 8.18518 8.63204 5.18512 6.57145 4.54938 6.92532 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.18518 8.63204 5.18512 6.01189 7.82074 6.36455 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.85331 4.61828 6.00575 9.20254 6.86014 6.60423 numMergedOcc 0
3 mol 60 unq 0 iso 0 dist 8.8058 8.4928 9.62257 5.09908 8.33063 9.96399 numMergedOcc 0
4 mol 60 unq 1 iso 0 dist 8.8058 8.4928 9.62257 10.0675 8.7531 7.55695 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 9.22376 9.924 10.121 3.85308 7.66905 7.33422 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 9.57498 6.14415 9.52882 6.89762 6.45675 7.12017 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 5.81552 6.48223 3.98564 10.626 9.60462 7.23962 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 5.81552 6.48223 3.98564 5.27363 7.45389 7.30204 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 9.24515 7.73842 11.128 5.24877 7.5732 6.34525 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 7.44784 8.99731 5.61704 7.64822 7.30858 5.72642 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 9.56867 8.99731 7.3094 7.64822 7.88312 5.72642 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 9.05626 4.85559 5.97111 7.09664 8.70949 8.33077 numMergedOcc 0
13 mol 188 unq 0 iso 0 dist 7.63268 9.53031 4.46081 7.63236 9.96154 8.47347 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 7.27481 9.04499 6.42798 5.68063 6.00706 7.862 numMergedOcc 0
15 mol 253 unq 0 iso 0 dist 7.71295 9.92698 6.89124 6.27022 6.73034 9.66465 numMergedOcc 0
16 mol 272 unq 0 iso 0 dist 4.78812 7.11691 8.7909 5.27123 8.33638 8.46061 numMergedOcc 0
17 mol 272 unq 1 iso 0 dist 6.62923 7.11691 4.86504 11.9042 9.97651 9.64269 numMergedOcc 0
18 mol 272 unq 2 iso 0 dist 6.62923 7.11691 4.86504 5.27123 8.46116 8.46061 numMergedOcc 0
