0 mol 19 unq 0 iso 0 dist 8.18518 8.63204 5.18512 14.1404 8.4674 10.1882 6.57145 4.54938 6.92532 7.67038 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 8.18518 8.63204 5.18512 6.57145 4.54938 6.92532 14.1404 8.4674 10.1882 7.67038 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 8.18518 8.63204 5.18512 14.1404 8.4674 10.1882 6.01189 7.82074 6.36455 10.3915 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 8.18518 8.63204 5.18512 6.01189 7.82074 6.36455 14.1404 8.4674 10.1882 10.3915 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 8.18518 8.63204 5.18512 6.57145 4.54938 6.92532 6.01189 7.82074 6.36455 5.03957 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 8.18518 8.63204 5.18512 6.01189 7.82074 6.36455 6.57145 4.54938 6.92532 5.03957 numMergedOcc 0
6 mol 60 unq 0 iso 0 dist 8.8058 8.4928 9.62257 5.09908 8.33063 9.96399 12.5818 6.43294 10.0962 10.1562 numMergedOcc 0
7 mol 60 unq 0 iso 1 dist 8.8058 8.4928 9.62257 12.5818 6.43294 10.0962 5.09908 8.33063 9.96399 10.1562 numMergedOcc 0
8 mol 60 unq 1 iso 0 dist 8.8058 8.4928 9.62257 5.09908 8.33063 9.96399 10.0675 8.7531 7.55695 7.29309 numMergedOcc 0
9 mol 60 unq 1 iso 1 dist 8.8058 8.4928 9.62257 10.0675 8.7531 7.55695 5.09908 8.33063 9.96399 7.29309 numMergedOcc 0
10 mol 60 unq 1 iso 0 dist 8.8058 8.4928 9.62257 12.5818 6.43294 10.0962 10.0675 8.7531 7.55695 5.67502 numMergedOcc 0
11 mol 60 unq 1 iso 1 dist 8.8058 8.4928 9.62257 10.0675 8.7531 7.55695 12.5818 6.43294 10.0962 5.67502 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 9.22376 9.924 10.121 5.75796 7.47541 12.3486 3.85308 7.66905 7.33422 5.42586 numMergedOcc 0
13 mol 85 unq 0 iso 1 dist 9.22376 9.924 10.121 3.85308 7.66905 7.33422 5.75796 7.47541 12.3486 5.42586 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 9.22376 9.924 10.121 5.75796 7.47541 12.3486 9.77828 5.73196 14.9249 6.87425 numMergedOcc 0
15 mol 85 unq 1 iso 1 dist 9.22376 9.924 10.121 9.77828 5.73196 14.9249 5.75796 7.47541 12.3486 6.87425 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 9.22376 9.924 10.121 3.85308 7.66905 7.33422 9.77828 5.73196 14.9249 10.1164 numMergedOcc 0
17 mol 85 unq 1 iso 1 dist 9.22376 9.924 10.121 9.77828 5.73196 14.9249 3.85308 7.66905 7.33422 10.1164 numMergedOcc 0
18 mol 112 unq 0 iso 0 dist 5.81552 6.48223 3.98564 10.626 9.60462 7.23962 5.27363 7.45389 7.30204 7.05226 numMergedOcc 0
19 mol 112 unq 0 iso 1 dist 5.81552 6.48223 3.98564 5.27363 7.45389 7.30204 10.626 9.60462 7.23962 7.05226 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 9.56867 8.99731 7.3094 9.97256 6.11741 10.9734 7.64822 7.88312 5.72642 7.69052 numMergedOcc 0
21 mol 115 unq 0 iso 1 dist 9.56867 8.99731 7.3094 7.64822 7.88312 5.72642 9.97256 6.11741 10.9734 7.69052 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 9.40003 6.40445 15.2 16.5528 9.65138 22.325 9.11345 7.14453 15.2593 9.10746 numMergedOcc 0
23 mol 214 unq 0 iso 1 dist 9.40003 6.40445 15.2 9.11345 7.14453 15.2593 16.5528 9.65138 22.325 9.10746 numMergedOcc 0
24 mol 214 unq 1 iso 0 dist 9.40003 6.40445 15.2 16.5528 9.65138 22.325 16.922 8.85478 22.3303 4.40923 numMergedOcc 0
25 mol 214 unq 1 iso 1 dist 9.40003 6.40445 15.2 16.922 8.85478 22.3303 16.5528 9.65138 22.325 4.40923 numMergedOcc 0
26 mol 214 unq 1 iso 0 dist 9.40003 6.40445 15.2 9.11345 7.14453 15.2593 16.922 8.85478 22.3303 11.3796 numMergedOcc 0
27 mol 214 unq 1 iso 1 dist 9.40003 6.40445 15.2 16.922 8.85478 22.3303 9.11345 7.14453 15.2593 11.3796 numMergedOcc 0
28 mol 222 unq 0 iso 0 dist 7.27481 9.04499 6.42798 5.68063 6.00706 7.862 5.90074 7.54212 12.5287 6.8425 numMergedOcc 0
29 mol 222 unq 0 iso 1 dist 7.27481 9.04499 6.42798 5.90074 7.54212 12.5287 5.68063 6.00706 7.862 6.8425 numMergedOcc 0
30 mol 253 unq 0 iso 0 dist 7.71295 9.92698 6.89124 4.84708 8.31064 13.1441 6.27022 6.73034 9.66465 8.02948 numMergedOcc 0
31 mol 253 unq 0 iso 1 dist 7.71295 9.92698 6.89124 6.27022 6.73034 9.66465 4.84708 8.31064 13.1441 8.02948 numMergedOcc 0
32 mol 272 unq 0 iso 0 dist 6.62923 7.11691 4.86504 11.9042 9.97651 9.64269 5.27123 8.46116 8.46061 8.12676 numMergedOcc 0
33 mol 272 unq 0 iso 1 dist 6.62923 7.11691 4.86504 5.27123 8.46116 8.46061 11.9042 9.97651 9.64269 8.12676 numMergedOcc 0
34 mol 276 unq 0 iso 0 dist 5.30976 8.18672 4.32691 7.38126 9.8993 13.3664 6.39319 6.87396 11.197 6.88557 numMergedOcc 0
35 mol 276 unq 0 iso 1 dist 5.30976 8.18672 4.32691 6.39319 6.87396 11.197 7.38126 9.8993 13.3664 6.88557 numMergedOcc 0
