0 mol 11 unq 0 iso 0 dist 9.09091 5.25331 6.51674 8.17605 7.98326 10.0282 12.4305 9.74251 12.0683 6.859 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 5.82366 6.38574 5.31883 11.4087 9.95212 12.7679 14.7321 9.79414 13.2747 8.54034 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 6.63839 9.75219 4.68797 6.06874 8.88938 12.871 11.1095 13.4321 14.868 9.16515 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 6.63839 9.75219 4.68797 6.06874 8.88938 12.871 10.1706 9.66912 9.89578 9.82987 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 6.63839 9.75219 4.68797 6.06874 8.88938 12.871 10.6614 5.86134 7.96011 9.40732 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 6.63839 9.75219 4.68797 6.06874 8.88938 12.871 8.53931 5.38592 9.2325 6.53269 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 7.22361 6.99742 6.36636 7.52321 7.35861 11.8983 13.1993 6.64374 12.5449 9.96912 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 7.34031 8.44353 11.6319 8.13678 8.29857 14.3851 9.42263 9.02536 11.6285 6.03404 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 7.34031 6.11249 5.39812 8.13678 8.29857 11.3217 9.42263 9.02536 10.3539 6.03404 numMergedOcc 0
9 mol 48 unq 2 iso 0 dist 7.34031 7.86326 8.55482 8.13678 8.29857 13.8474 9.42263 9.02536 11.9345 6.03404 numMergedOcc 0
10 mol 48 unq 3 iso 0 dist 7.34031 4.74786 3.50984 8.13678 8.29857 5.7836 9.42263 9.02536 6.71583 6.03404 numMergedOcc 0
11 mol 48 unq 4 iso 0 dist 7.281 4.53565 3.65036 8.24402 8.19993 5.82264 9.4708 9.12073 6.77378 6.07052 numMergedOcc 0
12 mol 48 unq 5 iso 0 dist 7.281 8.53722 11.611 8.24402 8.19993 14.3528 9.4708 9.12073 11.3878 6.07052 numMergedOcc 0
13 mol 48 unq 6 iso 0 dist 7.281 6.15814 5.37655 8.24402 8.19993 11.342 9.4708 9.12073 10.4059 6.07052 numMergedOcc 0
14 mol 48 unq 7 iso 0 dist 7.281 7.70284 8.48119 8.24402 8.19993 13.6649 9.4708 9.12073 11.7054 6.07052 numMergedOcc 0
15 mol 79 unq 0 iso 0 dist 9.63599 9.11491 5.84075 6.49291 9.78384 6.86517 6.52939 9.51372 5.9297 7.43127 numMergedOcc 0
16 mol 79 unq 1 iso 0 dist 9.63599 9.11491 5.84075 11.51 8.87742 14.0221 14.3253 6.06691 11.4347 8.02443 numMergedOcc 0
17 mol 79 unq 2 iso 0 dist 9.63599 9.11491 5.84075 7.82761 4.93468 8.33791 14.3253 6.06691 11.4347 9.09458 numMergedOcc 0
18 mol 79 unq 3 iso 0 dist 7.87237 7.90338 5.25584 4.52595 4.93468 7.56495 13.4344 6.69352 11.5615 9.77084 numMergedOcc 0
19 mol 79 unq 4 iso 0 dist 7.87237 7.90338 5.25584 4.52595 4.93468 7.56495 8.71844 6.0749 10.2908 6.5551 numMergedOcc 0
20 mol 79 unq 5 iso 0 dist 7.87237 7.08462 5.79629 4.52595 4.93468 7.63923 13.4344 6.69352 10.6375 9.77084 numMergedOcc 0
21 mol 79 unq 6 iso 0 dist 7.87237 7.08462 5.79629 4.52595 4.93468 7.63923 8.71844 6.0749 7.19532 6.5551 numMergedOcc 0
22 mol 79 unq 7 iso 0 dist 8.01743 7.15907 5.41884 6.4154 9.78384 9.21098 11.9367 9.51372 11.3271 7.43127 numMergedOcc 0
23 mol 79 unq 8 iso 0 dist 8.01743 7.15907 5.41884 11.4135 8.87742 13.2872 12.9343 6.06691 10.0358 8.02443 numMergedOcc 0
24 mol 79 unq 9 iso 0 dist 8.01743 7.15907 5.41884 4.58851 4.93468 7.38548 12.9343 6.06691 10.0358 9.09458 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 7.13252 7.61421 13.4378 8.45963 7.32087 14.4143 12.3338 5.3698 18.5598 9.06571 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 7.13252 7.61421 13.4378 8.45963 7.32087 14.4143 12.3788 6.39406 18.0236 7.35884 numMergedOcc 0
27 mol 181 unq 2 iso 0 dist 7.13252 7.61421 13.4378 11.047 8.86197 18.6281 12.3338 5.3698 18.5598 9.88897 numMergedOcc 0
28 mol 232 unq 0 iso 0 dist 7.10413 8.49913 9.85068 10.9886 9.78181 11.6437 15.7309 14.876 9.9016 9.9183 numMergedOcc 0
29 mol 256 unq 0 iso 0 dist 9.18903 5.85613 11.141 13.9633 6.00636 16.9513 18.5754 9.39697 19.7553 6.85663 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 9.20749 9.85661 6.97575 4.60275 9.16942 8.09181 6.66172 5.39432 10.6981 8.60027 numMergedOcc 0
