0 mol 26 unq 0 iso 0 dist 7.10804 14.7616 8.62527 14.4334 8.65828 4.21886 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.64424 11.0672 8.62527 8.23892 8.65828 4.21886 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 9.32784 8.14466 7.43758 6.11529 8.24422 4.24515 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 9.32784 8.14466 7.43758 11.7002 8.99724 5.03315 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 9.10681 5.27829 5.68877 6.10527 4.50643 5.70643 numMergedOcc 0
5 mol 44 unq 0 iso 0 dist 7.40218 4.33582 8.35366 4.48566 8.47518 7.794 numMergedOcc 0
6 mol 44 unq 1 iso 0 dist 7.40218 4.88924 8.69829 4.48566 8.47518 9.3469 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 4.22514 10.5752 8.34361 4.11549 6.29755 14.1632 numMergedOcc 0
8 mol 54 unq 1 iso 0 dist 4.22514 10.5752 8.34361 8.12687 7.4038 15.4599 numMergedOcc 0
9 mol 61 unq 0 iso 0 dist 9.0081 9.35633 9.91313 7.96488 7.77128 12.5852 numMergedOcc 0
10 mol 83 unq 0 iso 0 dist 7.16429 11.3005 7.88704 10.4404 8.49115 10.1307 numMergedOcc 0
11 mol 83 unq 1 iso 0 dist 7.16429 6.54776 6.55352 10.4404 8.49115 4.05107 numMergedOcc 0
12 mol 83 unq 2 iso 0 dist 7.16429 6.98135 9.05437 10.4404 8.49115 10.8153 numMergedOcc 0
13 mol 83 unq 3 iso 0 dist 7.16429 4.31442 9.00625 10.4404 8.49115 13.7522 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 9.0584 16.82 8.04448 12.958 4.3521 6.38409 numMergedOcc 0
15 mol 99 unq 0 iso 0 dist 8.6659 10.8621 7.09617 6.39308 9.39801 14.3576 numMergedOcc 0
16 mol 99 unq 1 iso 0 dist 8.6659 10.8621 7.09617 6.04335 4.82346 4.95662 numMergedOcc 0
17 mol 99 unq 2 iso 0 dist 8.6659 10.8621 7.09617 6.13115 8.89165 6.88843 numMergedOcc 0
18 mol 103 unq 0 iso 0 dist 5.37345 8.68687 9.79739 10.1051 8.88401 4.45483 numMergedOcc 0
19 mol 151 unq 0 iso 0 dist 8.70668 11.2259 9.39452 10.3714 7.93343 15.0568 numMergedOcc 0
20 mol 151 unq 1 iso 0 dist 8.70668 11.2259 9.39452 8.25671 5.89468 14.3657 numMergedOcc 0
21 mol 154 unq 0 iso 0 dist 9.17333 4.05045 6.59749 11.7447 4.62366 8.04261 numMergedOcc 0
22 mol 172 unq 0 iso 0 dist 9.40213 11.0523 8.2809 11.0444 5.28889 4.73085 numMergedOcc 0
23 mol 172 unq 1 iso 0 dist 9.40213 11.0523 8.2809 9.70426 4.90175 12.2355 numMergedOcc 0
24 mol 172 unq 2 iso 0 dist 8.75042 9.39946 8.2809 7.0455 5.28889 4.73085 numMergedOcc 0
25 mol 172 unq 3 iso 0 dist 8.75042 9.39946 8.2809 12.33 4.90175 12.2355 numMergedOcc 0
26 mol 173 unq 0 iso 0 dist 5.15834 3.95563 4.93595 6.2739 8.44321 5.64974 numMergedOcc 0
27 mol 229 unq 0 iso 0 dist 9.69083 6.27841 9.33775 6.60289 9.42877 11.9181 numMergedOcc 0
28 mol 233 unq 0 iso 0 dist 8.25961 3.63541 7.44436 10.2069 9.53639 6.68842 numMergedOcc 0
29 mol 241 unq 0 iso 0 dist 4.66398 5.06075 7.30582 10.4606 8.00841 8.94039 numMergedOcc 0
30 mol 241 unq 1 iso 0 dist 9.05448 11.2556 7.30582 5.2107 8.00841 8.94039 numMergedOcc 0
31 mol 279 unq 0 iso 0 dist 5.15432 9.33832 7.35799 9.70626 8.51994 12.7379 numMergedOcc 0
32 mol 279 unq 1 iso 0 dist 8.2375 13.7765 7.35799 4.37055 8.51994 12.7379 numMergedOcc 0
33 mol 279 unq 2 iso 0 dist 9.23951 11.1553 7.35799 5.46911 8.51994 12.7379 numMergedOcc 0
34 mol 280 unq 0 iso 0 dist 7.11605 4.35391 4.26671 7.87626 6.38295 4.65268 numMergedOcc 0
35 mol 283 unq 0 iso 0 dist 7.11407 3.85698 9.69083 4.88654 6.53354 6.50939 numMergedOcc 0
36 mol 283 unq 1 iso 0 dist 7.11407 3.85698 9.69083 11.4035 6.93798 14.2956 numMergedOcc 0
37 mol 283 unq 2 iso 0 dist 7.11407 7.85589 5.96202 4.88654 6.53354 4.89148 numMergedOcc 0
38 mol 283 unq 3 iso 0 dist 7.11407 7.85589 5.96202 11.4035 6.93798 4.01355 numMergedOcc 0
39 mol 283 unq 4 iso 0 dist 7.11407 10.1709 9.55068 4.88654 6.53354 5.57192 numMergedOcc 0
40 mol 283 unq 5 iso 0 dist 7.11407 10.1709 9.55068 11.4035 6.93798 9.29592 numMergedOcc 0
