0 mol 26 unq 0 iso 0 dist 9.59212 9.32742 6.70325 13.1508 4.80254 8.97754 7.89464 8.63881 7.97596 9.06516 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.59212 9.32742 6.70325 13.1508 4.80254 8.97754 17.5947 10.5415 8.62111 9.96121 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 9.63542 3.24351 7.72377 11.5166 9.9172 8.78511 5.91961 10.8147 4.84198 7.11053 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 9.78064 4.96658 9.99145 8.87762 6.75665 9.41098 15.2801 13.7637 16.3505 7.79336 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 9.56769 6.84869 8.988 5.14123 4.45758 6.23509 9.82767 10.0135 3.75088 8.35444 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 4.93315 4.85685 8.96898 5.6359 5.91118 9.19512 7.29999 11.8253 5.27573 9.1062 numMergedOcc 0
6 mol 67 unq 0 iso 0 dist 7.72671 5.88789 9.10001 5.35145 3.83735 5.88409 8.6915 11.3612 11.4786 8.96498 numMergedOcc 0
7 mol 228 unq 0 iso 0 dist 8.27678 14.9784 9.45974 11.0421 4.6339 8.92379 15.3451 8.2286 3.65229 7.84881 numMergedOcc 0
8 mol 228 unq 1 iso 0 dist 9.75578 13.5698 9.45974 14.1643 4.6339 8.92379 13.1757 8.2286 3.65229 7.84881 numMergedOcc 0
9 mol 228 unq 2 iso 0 dist 8.73196 6.12039 9.45974 10.9305 4.6339 8.92379 5.55391 8.2286 3.65229 7.84881 numMergedOcc 0
10 mol 228 unq 3 iso 0 dist 8.52422 6.33222 9.86348 10.6245 4.61961 9.06403 5.86537 8.5965 3.62742 7.86746 numMergedOcc 0
11 mol 228 unq 4 iso 0 dist 8.26664 15.5519 9.86348 10.9688 4.61961 9.06403 15.7915 8.5965 3.62742 7.86746 numMergedOcc 0
12 mol 228 unq 5 iso 0 dist 9.33596 15.8419 9.86348 13.4829 4.61961 9.06403 15.8673 8.5965 3.62742 7.86746 numMergedOcc 0
13 mol 228 unq 6 iso 0 dist 9.68484 14.0401 9.86348 14.0653 4.61961 9.06403 13.673 8.5965 3.62742 7.86746 numMergedOcc 0
14 mol 260 unq 0 iso 0 dist 8.67835 7.91474 4.76164 15.7202 14.0954 9.73217 7.69227 10.3201 6.03233 8.5613 numMergedOcc 0
15 mol 260 unq 1 iso 0 dist 8.67835 7.91474 4.76164 15.7202 14.0954 9.73217 12.2903 11.7404 7.66564 5.7791 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 9.53867 5.28038 5.55176 9.51394 5.06236 4.93516 13.7013 10.3062 8.99193 8.59762 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 9.53867 5.28038 5.55176 9.51394 5.06236 4.93516 13.7013 10.3062 8.99193 8.59762 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 9.53867 5.28038 5.55176 9.51394 5.06236 4.93516 13.7013 10.3062 8.99193 8.59762 numMergedOcc 0
