0 mol 16 unq 0 iso 0 dist 7.63133 5.46498 5.32694 8.71745 10.4155 5.74188 10.8455 6.31718 10.9143 16.4009 9.81307 8.43054 11.1513 16.7405 4.65873 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 7.63133 8.71745 10.4155 5.46498 5.32694 5.74188 10.8455 6.31718 16.4009 10.9143 9.81307 8.43054 16.7405 11.1513 4.65873 numMergedOcc 0
2 mol 60 unq 0 iso 0 dist 6.43294 8.33063 10.1562 8.7531 5.67502 7.29309 10.6819 6.65595 16.4714 11.1899 8.62476 7.57295 12.8147 8.4312 7.80499 numMergedOcc 0
3 mol 60 unq 0 iso 1 dist 6.43294 8.7531 5.67502 8.33063 10.1562 7.29309 10.6819 6.65595 11.1899 16.4714 8.62476 7.57295 8.4312 12.8147 7.80499 numMergedOcc 0
4 mol 60 unq 1 iso 0 dist 6.43294 8.33063 10.1562 8.7531 5.67502 7.29309 11.3621 9.25011 17.3965 12.4656 8.62476 7.57295 12.8147 8.4312 5.6397 numMergedOcc 0
5 mol 60 unq 1 iso 1 dist 6.43294 8.7531 5.67502 8.33063 10.1562 7.29309 11.3621 9.25011 12.4656 17.3965 8.62476 7.57295 8.4312 12.8147 5.6397 numMergedOcc 0
6 mol 60 unq 2 iso 0 dist 6.43294 8.33063 10.1562 8.7531 5.67502 7.29309 5.51199 8.52121 13.1051 11.6311 8.62476 7.57295 12.8147 8.4312 6.55502 numMergedOcc 0
7 mol 60 unq 2 iso 1 dist 6.43294 8.7531 5.67502 8.33063 10.1562 7.29309 5.51199 8.52121 11.6311 13.1051 8.62476 7.57295 8.4312 12.8147 6.55502 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 15.7123 9.38498 10.2049 20.257 5.70116 9.73086 7.4369 12.8207 17.4121 numMergedOcc 0
9 mol 73 unq 0 iso 1 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 15.7123 9.38498 20.257 10.2049 5.70116 9.73086 12.8207 7.4369 17.4121 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 12.016 9.75218 11.6369 10.1207 5.70116 9.73086 7.4369 12.8207 14.844 numMergedOcc 0
11 mol 73 unq 1 iso 1 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 12.016 9.75218 10.1207 11.6369 5.70116 9.73086 12.8207 7.4369 14.844 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 7.66905 7.47541 5.42586 5.73196 10.1164 6.87425 10.7229 7.95579 11.3023 15.309 5.59906 7.7068 10.2413 11.2056 6.36397 numMergedOcc 0
13 mol 85 unq 0 iso 1 dist 7.66905 5.73196 10.1164 7.47541 5.42586 6.87425 10.7229 7.95579 15.309 11.3023 5.59906 7.7068 11.2056 10.2413 6.36397 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 7.66905 7.47541 5.42586 5.73196 10.1164 6.87425 6.9948 6.19965 7.97049 11.2656 5.59906 7.7068 10.2413 11.2056 4.41789 numMergedOcc 0
15 mol 85 unq 1 iso 1 dist 7.66905 5.73196 10.1164 7.47541 5.42586 6.87425 6.9948 6.19965 11.2656 7.97049 5.59906 7.7068 11.2056 10.2413 4.41789 numMergedOcc 0
16 mol 95 unq 0 iso 0 dist 8.03644 9.03572 16.6055 8.83255 13.8105 6.59319 8.41707 7.27724 16.9836 16.9811 11.3215 9.3948 19.7448 19.9408 3.94537 numMergedOcc 0
17 mol 95 unq 0 iso 1 dist 8.03644 8.83255 13.8105 9.03572 16.6055 6.59319 8.41707 7.27724 16.9811 16.9836 11.3215 9.3948 19.9408 19.7448 3.94537 numMergedOcc 0
18 mol 95 unq 1 iso 0 dist 8.03644 9.03572 16.6055 8.83255 13.8105 6.59319 8.41707 7.27724 16.9836 16.9811 5.06946 9.74607 11.97 13.5721 6.12605 numMergedOcc 0
19 mol 95 unq 1 iso 1 dist 8.03644 8.83255 13.8105 9.03572 16.6055 6.59319 8.41707 7.27724 16.9811 16.9836 5.06946 9.74607 13.5721 11.97 6.12605 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 9.35224 7.80879 8.87654 5.88134 6.65086 10.5134 6.56369 4.03277 8.91882 10.5432 11.5088 6.23008 numMergedOcc 0
21 mol 100 unq 0 iso 1 dist 9.60661 9.35224 7.80879 7.17106 11.5403 8.87654 5.88134 6.65086 6.56369 10.5134 4.03277 8.91882 11.5088 10.5432 6.23008 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 5.33144 6.45675 10.1409 11.8665 5.9143 7.82475 11.9928 10.694 5.43561 numMergedOcc 0
23 mol 100 unq 1 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 5.33144 6.45675 11.8665 10.1409 5.9143 7.82475 10.694 11.9928 5.43561 numMergedOcc 0
24 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 5.33144 6.45675 10.1409 11.8665 5.47563 5.35782 9.94341 9.82522 6.30222 numMergedOcc 0
25 mol 100 unq 2 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 5.33144 6.45675 11.8665 10.1409 5.47563 5.35782 9.82522 9.94341 6.30222 numMergedOcc 0
26 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 10.1407 8.86688 14.9102 13.6959 5.9143 7.82475 11.9928 10.694 5.25234 numMergedOcc 0
27 mol 100 unq 3 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 10.1407 8.86688 13.6959 14.9102 5.9143 7.82475 10.694 11.9928 5.25234 numMergedOcc 0
28 mol 100 unq 4 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 10.1407 8.86688 14.9102 13.6959 5.47563 5.35782 9.94341 9.82522 5.03232 numMergedOcc 0
29 mol 100 unq 4 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 10.1407 8.86688 13.6959 14.9102 5.47563 5.35782 9.82522 9.94341 5.03232 numMergedOcc 0
30 mol 100 unq 5 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 5.33144 6.45675 10.1409 13.912 5.9143 7.82475 11.9928 14.966 5.43561 numMergedOcc 0
31 mol 100 unq 5 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 5.33144 6.45675 13.912 10.1409 5.9143 7.82475 14.966 11.9928 5.43561 numMergedOcc 0
32 mol 100 unq 6 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 5.33144 6.45675 10.1409 13.912 5.47563 5.35782 9.94341 13.4844 6.30222 numMergedOcc 0
33 mol 100 unq 6 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 5.33144 6.45675 13.912 10.1409 5.47563 5.35782 13.4844 9.94341 6.30222 numMergedOcc 0
34 mol 100 unq 7 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 10.1407 8.86688 14.9102 18.2109 5.9143 7.82475 11.9928 14.966 5.25234 numMergedOcc 0
35 mol 100 unq 7 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 10.1407 8.86688 18.2109 14.9102 5.9143 7.82475 14.966 11.9928 5.25234 numMergedOcc 0
36 mol 100 unq 8 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 10.1407 8.86688 14.9102 18.2109 5.47563 5.35782 9.94341 13.4844 5.03232 numMergedOcc 0
37 mol 100 unq 8 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 10.1407 8.86688 18.2109 14.9102 5.47563 5.35782 13.4844 9.94341 5.03232 numMergedOcc 0
38 mol 100 unq 5 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 5.33144 6.45675 11.8665 13.912 5.9143 7.82475 10.694 14.966 5.43561 numMergedOcc 0
39 mol 100 unq 5 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 5.33144 6.45675 13.912 11.8665 5.9143 7.82475 14.966 10.694 5.43561 numMergedOcc 0
40 mol 100 unq 6 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 5.33144 6.45675 11.8665 13.912 5.47563 5.35782 9.82522 13.4844 6.30222 numMergedOcc 0
41 mol 100 unq 6 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 5.33144 6.45675 13.912 11.8665 5.47563 5.35782 13.4844 9.82522 6.30222 numMergedOcc 0
42 mol 100 unq 7 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 10.1407 8.86688 13.6959 18.2109 5.9143 7.82475 10.694 14.966 5.25234 numMergedOcc 0
43 mol 100 unq 7 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 10.1407 8.86688 18.2109 13.6959 5.9143 7.82475 14.966 10.694 5.25234 numMergedOcc 0
44 mol 100 unq 8 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 10.1407 8.86688 13.6959 18.2109 5.47563 5.35782 9.82522 13.4844 5.03232 numMergedOcc 0
45 mol 100 unq 8 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 10.1407 8.86688 18.2109 13.6959 5.47563 5.35782 13.4844 9.82522 5.03232 numMergedOcc 0
46 mol 100 unq 9 iso 0 dist 6.65086 7.47343 8.8807 6.56369 7.80879 12.6515 5.88134 9.60661 12.0662 9.35224 6.23008 8.91882 9.76432 11.5088 4.03277 numMergedOcc 0
47 mol 100 unq 9 iso 1 dist 6.65086 6.56369 7.80879 7.47343 8.8807 12.6515 5.88134 9.60661 9.35224 12.0662 6.23008 8.91882 11.5088 9.76432 4.03277 numMergedOcc 0
48 mol 100 unq 10 iso 0 dist 6.65086 7.47343 8.8807 9.30209 5.38414 13.887 5.88134 9.60661 12.0662 10.5853 6.23008 8.91882 9.76432 11.6812 4.03277 numMergedOcc 0
49 mol 100 unq 10 iso 1 dist 6.65086 9.30209 5.38414 7.47343 8.8807 13.887 5.88134 9.60661 10.5853 12.0662 6.23008 8.91882 11.6812 9.76432 4.03277 numMergedOcc 0
50 mol 100 unq 10 iso 0 dist 6.65086 6.56369 7.80879 9.30209 5.38414 6.39938 5.88134 9.60661 9.35224 10.5853 6.23008 8.91882 11.5088 11.6812 4.03277 numMergedOcc 0
51 mol 100 unq 10 iso 1 dist 6.65086 9.30209 5.38414 6.56369 7.80879 6.39938 5.88134 9.60661 10.5853 9.35224 6.23008 8.91882 11.6812 11.5088 4.03277 numMergedOcc 0
52 mol 115 unq 0 iso 0 dist 5.83991 7.30858 10.8507 7.88312 8.02349 11.5723 7.69052 9.33865 13.8473 6.11741 6.01673 6.24825 13.22 10.0255 6.95773 numMergedOcc 0
53 mol 115 unq 0 iso 1 dist 5.83991 7.88312 8.02349 7.30858 10.8507 11.5723 7.69052 9.33865 6.11741 13.8473 6.01673 6.24825 10.0255 13.22 6.95773 numMergedOcc 0
54 mol 117 unq 0 iso 0 dist 7.90328 7.83136 7.22206 7.0603 9.3584 7.21564 13.1058 9.84395 16.5575 17.163 10.5783 6.10127 11.6387 14.762 6.57678 numMergedOcc 0
55 mol 117 unq 0 iso 1 dist 7.90328 7.0603 9.3584 7.83136 7.22206 7.21564 13.1058 9.84395 17.163 16.5575 10.5783 6.10127 14.762 11.6387 6.57678 numMergedOcc 0
56 mol 133 unq 0 iso 0 dist 7.24514 9.91388 6.761 9.52634 7.6656 6.69554 6.65743 8.22656 10.0372 13.4163 5.03174 8.26547 12.4934 13.5471 4.88025 numMergedOcc 0
57 mol 133 unq 0 iso 1 dist 7.24514 9.52634 7.6656 9.91388 6.761 6.69554 6.65743 8.22656 13.4163 10.0372 5.03174 8.26547 13.5471 12.4934 4.88025 numMergedOcc 0
58 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.49416 8.80819 5.00817 6.81259 9.86662 9.71307 12.5075 8.06642 7.21868 7.93372 11.988 4.00092 numMergedOcc 0
59 mol 134 unq 0 iso 1 dist 8.94367 6.49416 8.80819 6.37586 5.49782 5.00817 6.81259 9.86662 12.5075 9.71307 8.06642 7.21868 11.988 7.93372 4.00092 numMergedOcc 0
60 mol 134 unq 1 iso 0 dist 6.37586 8.94367 5.49782 6.49416 5.00817 8.80819 6.81259 9.71307 9.86662 12.5075 6.95573 9.33924 13.9752 9.55584 10.2026 numMergedOcc 0
61 mol 134 unq 1 iso 1 dist 6.37586 6.49416 5.00817 8.94367 5.49782 8.80819 6.81259 9.71307 12.5075 9.86662 6.95573 9.33924 9.55584 13.9752 10.2026 numMergedOcc 0
62 mol 134 unq 2 iso 0 dist 6.37586 8.94367 5.49782 6.49416 5.00817 8.80819 6.81259 9.71307 9.86662 12.5075 8.06642 7.93372 7.21868 11.988 4.00092 numMergedOcc 0
63 mol 134 unq 2 iso 1 dist 6.37586 6.49416 5.00817 8.94367 5.49782 8.80819 6.81259 9.71307 12.5075 9.86662 8.06642 7.93372 11.988 7.21868 4.00092 numMergedOcc 0
64 mol 152 unq 0 iso 0 dist 6.70283 8.56324 7.65448 7.16148 5.49936 10.6875 5.42328 5.87555 10.399 8.87437 5.39112 6.70693 6.59889 10.4895 4.94983 numMergedOcc 0
65 mol 152 unq 0 iso 1 dist 6.70283 7.16148 5.49936 8.56324 7.65448 10.6875 5.42328 5.87555 8.87437 10.399 5.39112 6.70693 10.4895 6.59889 4.94983 numMergedOcc 0
66 mol 152 unq 1 iso 0 dist 6.70283 8.56324 7.65448 7.16148 5.49936 10.6875 6.4896 8.67331 14.1618 8.05741 5.39112 6.70693 6.59889 10.4895 9.67475 numMergedOcc 0
67 mol 152 unq 1 iso 1 dist 6.70283 7.16148 5.49936 8.56324 7.65448 10.6875 6.4896 8.67331 8.05741 14.1618 5.39112 6.70693 10.4895 6.59889 9.67475 numMergedOcc 0
68 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 9.15386 12.1628 5.16002 13.2049 8.03334 10.7062 14.9794 12.9532 9.76212 13.2783 18.2853 6.50233 numMergedOcc 0
69 mol 181 unq 0 iso 1 dist 9.1374 9.15386 12.1628 5.98885 8.88798 5.16002 13.2049 8.03334 14.9794 10.7062 12.9532 9.76212 18.2853 13.2783 6.50233 numMergedOcc 0
70 mol 224 unq 0 iso 0 dist 6.57273 8.95269 4.70378 5.78342 8.49799 11.5372 5.0744 6.60589 9.99123 9.16166 7.05804 8.79428 13.2325 6.8692 5.76843 numMergedOcc 0
71 mol 224 unq 0 iso 1 dist 6.57273 5.78342 8.49799 8.95269 4.70378 11.5372 5.0744 6.60589 9.16166 9.99123 7.05804 8.79428 6.8692 13.2325 5.76843 numMergedOcc 0
72 mol 224 unq 1 iso 0 dist 6.60589 6.65832 6.77699 9.16166 8.49799 11.328 5.0744 6.57273 10.103 5.78342 5.76843 8.79428 6.99769 6.8692 7.05804 numMergedOcc 0
73 mol 224 unq 1 iso 1 dist 6.60589 9.16166 8.49799 6.65832 6.77699 11.328 5.0744 6.57273 5.78342 10.103 5.76843 8.79428 6.8692 6.99769 7.05804 numMergedOcc 0
74 mol 224 unq 2 iso 0 dist 5.78342 8.95269 11.5372 6.57273 8.49799 4.70378 5.0744 9.16166 9.99123 6.60589 7.05804 6.8692 13.2325 8.79428 5.76843 numMergedOcc 0
75 mol 224 unq 2 iso 1 dist 5.78342 6.57273 8.49799 8.95269 11.5372 4.70378 5.0744 9.16166 6.60589 9.99123 7.05804 6.8692 8.79428 13.2325 5.76843 numMergedOcc 0
76 mol 224 unq 3 iso 0 dist 5.78342 8.95269 11.5372 6.57273 8.49799 4.70378 5.60236 5.81334 14.0676 10.5128 7.05804 6.8692 13.2325 8.79428 4.54188 numMergedOcc 0
77 mol 224 unq 3 iso 1 dist 5.78342 6.57273 8.49799 8.95269 11.5372 4.70378 5.60236 5.81334 10.5128 14.0676 7.05804 6.8692 8.79428 13.2325 4.54188 numMergedOcc 0
78 mol 224 unq 4 iso 0 dist 9.16166 6.65832 11.328 6.60589 8.49799 6.77699 5.0744 5.78342 10.103 6.57273 5.76843 6.8692 6.99769 8.79428 7.05804 numMergedOcc 0
79 mol 224 unq 4 iso 1 dist 9.16166 6.60589 8.49799 6.65832 11.328 6.77699 5.0744 5.78342 6.57273 10.103 5.76843 6.8692 8.79428 6.99769 7.05804 numMergedOcc 0
80 mol 224 unq 5 iso 0 dist 9.16166 6.65832 11.328 6.60589 8.49799 6.77699 6.91102 5.81334 10.9745 10.5128 5.76843 6.8692 6.99769 8.79428 4.54188 numMergedOcc 0
81 mol 224 unq 5 iso 1 dist 9.16166 6.60589 8.49799 6.65832 11.328 6.77699 6.91102 5.81334 10.5128 10.9745 5.76843 6.8692 8.79428 6.99769 4.54188 numMergedOcc 0
82 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 8.65997 5.22356 7.60506 4.39704 7.09863 10.4905 10.8157 5.0317 5.23634 10.7855 6.91318 5.83175 numMergedOcc 0
83 mol 227 unq 0 iso 1 dist 7.22101 8.65997 5.22356 9.34734 6.99063 7.60506 4.39704 7.09863 10.8157 10.4905 5.0317 5.23634 6.91318 10.7855 5.83175 numMergedOcc 0
84 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 7.56888 10.8658 7.43198 4.39704 7.09863 10.4905 11.0431 5.0317 5.23634 10.7855 11.2661 5.83175 numMergedOcc 0
85 mol 227 unq 1 iso 1 dist 7.22101 7.56888 10.8658 9.34734 6.99063 7.43198 4.39704 7.09863 11.0431 10.4905 5.0317 5.23634 11.2661 10.7855 5.83175 numMergedOcc 0
86 mol 227 unq 2 iso 0 dist 7.22101 9.34734 6.99063 7.55216 12.4689 9.51866 4.39704 7.09863 10.4905 10.0334 5.0317 5.23634 10.7855 12.3663 5.83175 numMergedOcc 0
87 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 9.34734 6.99063 9.51866 4.39704 7.09863 10.0334 10.4905 5.0317 5.23634 12.3663 10.7855 5.83175 numMergedOcc 0
88 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 7.56888 10.8658 9.70012 4.39704 7.09863 10.8157 11.0431 5.0317 5.23634 6.91318 11.2661 5.83175 numMergedOcc 0
89 mol 227 unq 1 iso 1 dist 7.22101 7.56888 10.8658 8.65997 5.22356 9.70012 4.39704 7.09863 11.0431 10.8157 5.0317 5.23634 11.2661 6.91318 5.83175 numMergedOcc 0
90 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.55216 12.4689 12.9332 4.39704 7.09863 10.8157 10.0334 5.0317 5.23634 6.91318 12.3663 5.83175 numMergedOcc 0
91 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 8.65997 5.22356 12.9332 4.39704 7.09863 10.0334 10.8157 5.0317 5.23634 12.3663 6.91318 5.83175 numMergedOcc 0
92 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 7.55216 12.4689 4.48529 4.39704 7.09863 11.0431 10.0334 5.0317 5.23634 11.2661 12.3663 5.83175 numMergedOcc 0
93 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 7.56888 10.8658 4.48529 4.39704 7.09863 10.0334 11.0431 5.0317 5.23634 12.3663 11.2661 5.83175 numMergedOcc 0
94 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.46176 6.96053 7.64658 4.69778 8.13497 9.95973 10.3935 11.6988 9.46361 12.8903 6.95511 12.2293 numMergedOcc 0
95 mol 259 unq 0 iso 1 dist 7.88519 7.46176 6.96053 7.84554 4.86771 7.64658 4.69778 8.13497 10.3935 9.95973 11.6988 9.46361 6.95511 12.8903 12.2293 numMergedOcc 0
96 mol 259 unq 1 iso 0 dist 7.88519 7.84554 4.86771 9.18903 10.4881 5.87173 4.69778 8.13497 9.95973 12.6839 11.6988 9.46361 12.8903 17.104 12.2293 numMergedOcc 0
97 mol 259 unq 1 iso 1 dist 7.88519 9.18903 10.4881 7.84554 4.86771 5.87173 4.69778 8.13497 12.6839 9.95973 11.6988 9.46361 17.104 12.8903 12.2293 numMergedOcc 0
98 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 9.18903 10.4881 10.5239 4.69778 8.13497 10.3935 12.6839 11.6988 9.46361 6.95511 17.104 12.2293 numMergedOcc 0
99 mol 259 unq 1 iso 1 dist 7.88519 9.18903 10.4881 7.46176 6.96053 10.5239 4.69778 8.13497 12.6839 10.3935 11.6988 9.46361 17.104 6.95511 12.2293 numMergedOcc 0
