0 mol 28 unq 0 iso 0 dist 5.32719 8.0641 9.72965 6.77926 8.75468 7.39132 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 5.32719 8.0641 9.72965 3.85555 7.62989 5.28861 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 5.32719 8.0641 9.72965 7.50035 5.70238 6.94261 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 5.32719 10.6532 5.63315 6.77926 8.75468 13.2225 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 5.32719 10.6532 5.63315 3.85555 7.62989 12.3695 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 5.32719 10.6532 5.63315 7.50035 5.70238 6.33375 numMergedOcc 0
6 mol 28 unq 6 iso 0 dist 5.32719 12.9204 9.8465 6.77926 8.75468 10.8134 numMergedOcc 0
7 mol 28 unq 7 iso 0 dist 5.32719 12.9204 9.8465 3.85555 7.62989 11.956 numMergedOcc 0
8 mol 28 unq 8 iso 0 dist 5.32719 12.9204 9.8465 7.50035 5.70238 8.99305 numMergedOcc 0
9 mol 28 unq 9 iso 0 dist 7.03702 5.53358 9.72965 9.63176 8.75468 7.39132 numMergedOcc 0
10 mol 28 unq 10 iso 0 dist 7.03702 5.53358 9.72965 5.94896 7.62989 5.28861 numMergedOcc 0
11 mol 28 unq 11 iso 0 dist 7.03702 5.53358 9.72965 3.92369 5.70238 6.94261 numMergedOcc 0
12 mol 28 unq 12 iso 0 dist 7.03702 9.79971 5.63315 9.63176 8.75468 13.2225 numMergedOcc 0
13 mol 28 unq 13 iso 0 dist 7.03702 9.79971 5.63315 5.94896 7.62989 12.3695 numMergedOcc 0
14 mol 28 unq 14 iso 0 dist 7.03702 9.79971 5.63315 3.92369 5.70238 6.33375 numMergedOcc 0
15 mol 28 unq 15 iso 0 dist 7.03702 11.7809 9.8465 9.63176 8.75468 10.8134 numMergedOcc 0
16 mol 28 unq 16 iso 0 dist 7.03702 11.7809 9.8465 5.94896 7.62989 11.956 numMergedOcc 0
17 mol 28 unq 17 iso 0 dist 7.03702 11.7809 9.8465 3.92369 5.70238 8.99305 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 8.39494 9.06936 8.58543 3.95066 8.59337 12.2331 numMergedOcc 0
19 mol 73 unq 1 iso 0 dist 8.39494 9.06936 8.58543 6.09246 7.66942 4.53496 numMergedOcc 0
20 mol 92 unq 0 iso 0 dist 6.40964 9.28233 8.03028 4.51052 7.87729 13.3357 numMergedOcc 0
21 mol 92 unq 1 iso 0 dist 6.40964 11.1606 7.39754 4.51052 7.87729 13.7136 numMergedOcc 0
22 mol 93 unq 0 iso 0 dist 8.16531 4.55916 5.51624 11.064 6.46217 10.1484 numMergedOcc 0
23 mol 93 unq 1 iso 0 dist 8.16531 15.9068 7.8674 11.064 6.46217 10.2139 numMergedOcc 0
24 mol 93 unq 2 iso 0 dist 8.98593 13.8162 5.51624 4.45993 6.46217 10.1484 numMergedOcc 0
25 mol 93 unq 3 iso 0 dist 8.98593 8.93352 7.8674 4.45993 6.46217 10.2139 numMergedOcc 0
26 mol 105 unq 0 iso 0 dist 8.66946 9.99581 8.44437 3.86635 9.09664 8.03743 numMergedOcc 0
27 mol 109 unq 0 iso 0 dist 8.71813 5.71872 9.92553 4.37072 9.67274 9.65072 numMergedOcc 0
28 mol 152 unq 0 iso 0 dist 9.3516 7.96634 8.60521 9.89404 9.48674 13.909 numMergedOcc 0
29 mol 152 unq 1 iso 0 dist 9.3516 5.35395 6.39031 9.89404 9.48674 6.69469 numMergedOcc 0
30 mol 162 unq 0 iso 0 dist 8.6792 12.783 8.53374 7.05221 9.56342 9.586 numMergedOcc 0
31 mol 175 unq 0 iso 0 dist 9.02096 9.412 7.32419 3.92978 7.6741 6.41193 numMergedOcc 0
32 mol 175 unq 1 iso 0 dist 9.02096 11.9733 8.31961 3.92978 7.6741 10.568 numMergedOcc 0
33 mol 184 unq 0 iso 0 dist 9.66132 6.55873 9.05835 4.57656 9.12454 6.55448 numMergedOcc 0
34 mol 186 unq 0 iso 0 dist 7.95201 4.89182 7.23293 5.28021 8.46395 9.42515 numMergedOcc 0
35 mol 186 unq 1 iso 0 dist 8.16906 10.4922 7.23293 3.87593 8.46395 9.42515 numMergedOcc 0
36 mol 218 unq 0 iso 0 dist 5.8679 11.3148 9.06334 10.7878 6.62738 3.98561 numMergedOcc 0
37 mol 218 unq 1 iso 0 dist 5.8679 11.3148 9.06334 9.19561 7.13254 5.11748 numMergedOcc 0
38 mol 250 unq 0 iso 0 dist 7.78686 15.9371 9.60364 11.4515 7.5999 10.18 numMergedOcc 0
39 mol 250 unq 1 iso 0 dist 7.78686 15.9371 9.60364 11.6986 9.50976 8.13777 numMergedOcc 0
40 mol 281 unq 0 iso 0 dist 8.81001 5.80895 4.95189 7.72809 8.2659 9.3694 numMergedOcc 0
