0 mol 7 unq 0 iso 0 dist 5.83658 4.47024 6.58469 10.826 9.60499 14.3576 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 7.84393 8.75332 6.49317 9.01721 7.82074 11.6624 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 8.18518 8.63204 5.18512 14.1404 8.4674 10.1882 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 8.18518 8.63204 5.18512 6.57145 4.54938 6.92532 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 8.18518 8.63204 5.18512 6.01189 7.82074 6.36455 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.85331 4.61828 6.00575 9.20254 6.86014 6.60423 numMergedOcc 0
6 mol 60 unq 0 iso 0 dist 8.8058 8.4928 9.62257 5.09908 8.33063 9.96399 numMergedOcc 0
7 mol 60 unq 1 iso 0 dist 8.8058 8.4928 9.62257 12.5818 6.43294 10.0962 numMergedOcc 0
8 mol 60 unq 2 iso 0 dist 8.8058 8.4928 9.62257 10.0675 8.7531 7.55695 numMergedOcc 0
9 mol 75 unq 0 iso 0 dist 7.16583 6.59253 5.36954 6.77761 7.79912 11.1537 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 9.22376 9.924 10.121 5.75796 7.47541 12.3486 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 9.22376 9.924 10.121 3.85308 7.66905 7.33422 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 9.22376 9.924 10.121 9.77828 5.73196 14.9249 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 9.57498 6.14415 9.52882 6.89762 6.45675 7.12017 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 5.81552 6.48223 3.98564 10.626 9.60462 7.23962 numMergedOcc 0
15 mol 112 unq 1 iso 0 dist 5.81552 6.48223 3.98564 5.27363 7.45389 7.30204 numMergedOcc 0
16 mol 114 unq 0 iso 0 dist 9.24515 7.73842 11.128 5.24877 7.5732 6.34525 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 7.44784 8.99731 5.61704 7.64822 7.30858 5.72642 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 9.56867 8.99731 7.3094 9.97256 6.11741 10.9734 numMergedOcc 0
19 mol 115 unq 2 iso 0 dist 9.56867 8.99731 7.3094 7.64822 7.88312 5.72642 numMergedOcc 0
20 mol 130 unq 0 iso 0 dist 9.05626 4.85559 5.97111 7.09664 8.70949 8.33077 numMergedOcc 0
21 mol 143 unq 0 iso 0 dist 5.30872 8.07799 3.86476 6.3915 5.99315 9.4792 numMergedOcc 0
22 mol 188 unq 0 iso 0 dist 7.63268 9.53031 4.46081 7.63236 9.96154 8.47347 numMergedOcc 0
23 mol 214 unq 0 iso 0 dist 9.40003 6.40445 15.2 16.5528 9.65138 22.325 numMergedOcc 0
24 mol 214 unq 1 iso 0 dist 9.40003 6.40445 15.2 9.11345 7.14453 15.2593 numMergedOcc 0
25 mol 214 unq 2 iso 0 dist 9.40003 6.40445 15.2 16.922 8.85478 22.3303 numMergedOcc 0
26 mol 214 unq 3 iso 0 dist 9.4835 8.67237 15.3526 14.5108 8.82096 22.5106 numMergedOcc 0
27 mol 214 unq 4 iso 0 dist 9.4835 7.49436 6.00534 14.5108 8.82096 14.1229 numMergedOcc 0
28 mol 222 unq 0 iso 0 dist 7.27481 9.04499 6.42798 5.68063 6.00706 7.862 numMergedOcc 0
29 mol 222 unq 1 iso 0 dist 7.27481 9.04499 6.42798 5.90074 7.54212 12.5287 numMergedOcc 0
30 mol 239 unq 0 iso 0 dist 9.27989 9.36997 18.6229 12.1502 6.16342 20.9592 numMergedOcc 0
31 mol 239 unq 1 iso 0 dist 9.27989 9.97907 17.6269 12.1502 6.16342 20.9521 numMergedOcc 0
32 mol 239 unq 2 iso 0 dist 9.27989 8.83751 7.34872 12.1502 6.16342 13.3923 numMergedOcc 0
33 mol 239 unq 3 iso 0 dist 9.27989 8.77688 8.9361 12.1502 6.16342 13.1682 numMergedOcc 0
34 mol 253 unq 0 iso 0 dist 7.80525 9.92698 10.4713 4.84708 7.32223 13.1441 numMergedOcc 0
35 mol 253 unq 1 iso 0 dist 7.71295 9.92698 6.89124 4.84708 8.31064 13.1441 numMergedOcc 0
36 mol 253 unq 2 iso 0 dist 7.71295 9.92698 6.89124 6.27022 6.73034 9.66465 numMergedOcc 0
37 mol 261 unq 0 iso 0 dist 7.6414 6.40153 8.57648 13.6041 8.45658 16.596 numMergedOcc 0
38 mol 272 unq 0 iso 0 dist 4.78812 7.11691 8.7909 5.27123 8.33638 8.46061 numMergedOcc 0
39 mol 272 unq 1 iso 0 dist 6.62923 7.11691 4.86504 11.9042 9.97651 9.64269 numMergedOcc 0
40 mol 272 unq 2 iso 0 dist 6.62923 7.11691 4.86504 5.27123 8.46116 8.46061 numMergedOcc 0
41 mol 276 unq 0 iso 0 dist 5.30976 8.18672 4.32691 7.38126 9.8993 13.3664 numMergedOcc 0
42 mol 276 unq 1 iso 0 dist 5.30976 8.18672 4.32691 6.39319 6.87396 11.197 numMergedOcc 0
