0 mol 28 unq 0 iso 0 dist 5.32719 8.0641 9.72965 11.6018 7.40415 12.67 6.77926 8.75468 7.39132 10.4406 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 5.32719 8.0641 9.72965 11.6018 7.40415 12.67 3.85555 7.62989 5.28861 12.0524 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 5.32719 8.0641 9.72965 11.6018 7.40415 12.67 7.50035 5.70238 6.94261 10.0581 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 5.32719 10.6532 5.63315 11.6018 7.40415 7.00226 6.77926 8.75468 13.2225 10.4406 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 5.32719 10.6532 5.63315 11.6018 7.40415 7.00226 3.85555 7.62989 12.3695 12.0524 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 5.32719 10.6532 5.63315 11.6018 7.40415 7.00226 7.50035 5.70238 6.33375 10.0581 numMergedOcc 0
6 mol 28 unq 6 iso 0 dist 5.32719 12.9204 9.8465 11.6018 7.40415 5.93722 6.77926 8.75468 10.8134 10.4406 numMergedOcc 0
7 mol 28 unq 7 iso 0 dist 5.32719 12.9204 9.8465 11.6018 7.40415 5.93722 3.85555 7.62989 11.956 12.0524 numMergedOcc 0
8 mol 28 unq 8 iso 0 dist 5.32719 12.9204 9.8465 11.6018 7.40415 5.93722 7.50035 5.70238 8.99305 10.0581 numMergedOcc 0
9 mol 28 unq 9 iso 0 dist 7.03702 5.53358 9.72965 12.7227 7.40415 12.67 9.63176 8.75468 7.39132 10.4406 numMergedOcc 0
10 mol 28 unq 10 iso 0 dist 7.03702 5.53358 9.72965 12.7227 7.40415 12.67 5.94896 7.62989 5.28861 12.0524 numMergedOcc 0
11 mol 28 unq 11 iso 0 dist 7.03702 5.53358 9.72965 12.7227 7.40415 12.67 3.92369 5.70238 6.94261 10.0581 numMergedOcc 0
12 mol 28 unq 12 iso 0 dist 7.03702 9.79971 5.63315 12.7227 7.40415 7.00226 9.63176 8.75468 13.2225 10.4406 numMergedOcc 0
13 mol 28 unq 13 iso 0 dist 7.03702 9.79971 5.63315 12.7227 7.40415 7.00226 5.94896 7.62989 12.3695 12.0524 numMergedOcc 0
14 mol 28 unq 14 iso 0 dist 7.03702 9.79971 5.63315 12.7227 7.40415 7.00226 3.92369 5.70238 6.33375 10.0581 numMergedOcc 0
15 mol 28 unq 15 iso 0 dist 7.03702 11.7809 9.8465 12.7227 7.40415 5.93722 9.63176 8.75468 10.8134 10.4406 numMergedOcc 0
16 mol 28 unq 16 iso 0 dist 7.03702 11.7809 9.8465 12.7227 7.40415 5.93722 5.94896 7.62989 11.956 12.0524 numMergedOcc 0
17 mol 28 unq 17 iso 0 dist 7.03702 11.7809 9.8465 12.7227 7.40415 5.93722 3.92369 5.70238 8.99305 10.0581 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 8.39494 9.06936 8.58543 13.4867 7.62738 15.4757 3.95066 8.59337 12.2331 12.1293 numMergedOcc 0
19 mol 73 unq 1 iso 0 dist 8.39494 9.06936 8.58543 13.4867 7.62738 15.4757 6.09246 7.66942 4.53496 15.0139 numMergedOcc 0
20 mol 92 unq 0 iso 0 dist 6.40964 9.28233 8.03028 5.04277 8.57827 12.6909 4.51052 7.87729 13.3357 4.15826 numMergedOcc 0
21 mol 92 unq 1 iso 0 dist 6.40964 9.28233 8.03028 6.77665 7.94453 7.57205 4.51052 7.87729 13.3357 10.1482 numMergedOcc 0
22 mol 92 unq 2 iso 0 dist 6.40964 11.1606 7.39754 5.04277 8.57827 15.1698 4.51052 7.87729 13.7136 4.15826 numMergedOcc 0
23 mol 92 unq 3 iso 0 dist 6.40964 11.1606 7.39754 6.77665 7.94453 6.82081 4.51052 7.87729 13.7136 10.1482 numMergedOcc 0
24 mol 93 unq 0 iso 0 dist 8.16531 4.55916 5.51624 14.4018 7.62611 11.4196 11.064 6.46217 10.1484 6.4154 numMergedOcc 0
25 mol 93 unq 1 iso 0 dist 8.16531 15.9068 7.8674 14.4018 7.62611 8.05783 11.064 6.46217 10.2139 6.4154 numMergedOcc 0
26 mol 93 unq 2 iso 0 dist 8.98593 13.8162 5.51624 7.04959 7.62611 11.4196 4.45993 6.46217 10.1484 6.4154 numMergedOcc 0
27 mol 93 unq 3 iso 0 dist 8.98593 8.93352 7.8674 7.04959 7.62611 8.05783 4.45993 6.46217 10.2139 6.4154 numMergedOcc 0
28 mol 105 unq 0 iso 0 dist 8.66946 9.99581 8.44437 8.62526 7.71923 7.41096 3.86635 9.09664 8.03743 5.8332 numMergedOcc 0
29 mol 105 unq 1 iso 0 dist 8.66946 9.99581 8.44437 9.71724 9.87821 4.88348 3.86635 9.09664 8.03743 6.30722 numMergedOcc 0
30 mol 105 unq 2 iso 0 dist 8.66946 9.99581 8.44437 11.7138 7.09806 4.22355 3.86635 9.09664 8.03743 9.73765 numMergedOcc 0
31 mol 109 unq 0 iso 0 dist 8.71813 5.71872 9.92553 6.12935 6.76575 10.9279 4.37072 9.67274 9.65072 4.8632 numMergedOcc 0
32 mol 162 unq 0 iso 0 dist 8.6792 12.783 8.53374 10.301 7.14263 3.76192 7.05221 9.56342 9.586 6.17752 numMergedOcc 0
33 mol 162 unq 1 iso 0 dist 8.6792 12.783 8.53374 4.05981 8.57005 11.41 7.05221 9.56342 9.586 8.7961 numMergedOcc 0
34 mol 175 unq 0 iso 0 dist 9.02096 9.412 7.32419 8.56805 8.05247 11.2348 3.92978 7.6741 6.41193 10.297 numMergedOcc 0
35 mol 175 unq 1 iso 0 dist 9.02096 9.412 7.32419 11.8728 9.71028 8.94702 3.92978 7.6741 6.41193 11.8094 numMergedOcc 0
36 mol 175 unq 2 iso 0 dist 9.02096 11.9733 8.31961 8.56805 8.05247 9.23758 3.92978 7.6741 10.568 10.297 numMergedOcc 0
37 mol 175 unq 3 iso 0 dist 9.02096 11.9733 8.31961 11.8728 9.71028 4.06277 3.92978 7.6741 10.568 11.8094 numMergedOcc 0
38 mol 186 unq 0 iso 0 dist 7.95201 4.89182 7.23293 4.93748 5.45675 5.91678 5.28021 8.46395 9.42515 5.39534 numMergedOcc 0
39 mol 186 unq 1 iso 0 dist 8.16906 10.4922 7.23293 4.78938 5.45675 5.91678 3.87593 8.46395 9.42515 5.39534 numMergedOcc 0
40 mol 218 unq 0 iso 0 dist 5.8679 11.3148 9.06334 10.6737 9.32945 7.21841 10.7878 6.62738 3.98561 7.3057 numMergedOcc 0
41 mol 218 unq 1 iso 0 dist 5.8679 11.3148 9.06334 10.6737 9.32945 7.21841 9.19561 7.13254 5.11748 10.5867 numMergedOcc 0
