0 mol 24 unq 0 iso 0 dist 9.40479 4.90592 6.99746 9.65174 13.3652 9.63925 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.40479 8.16324 7.05541 9.65174 13.3652 12.5427 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.38831 9.69752 10.025 9.41655 15.0537 7.02381 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 9.38831 9.69752 10.025 6.803 12.8421 7.18485 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 9.38831 9.36461 6.99746 9.41655 15.0537 14.1137 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 9.38831 9.36461 6.99746 6.803 12.8421 13.4584 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 9.58012 4.90592 11.8996 9.65174 6.79749 9.63925 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 9.58012 8.16324 9.15493 9.65174 6.79749 12.5427 numMergedOcc 0
8 mol 28 unq 0 iso 0 dist 9.72965 7.40415 12.67 8.75468 7.39132 10.4406 numMergedOcc 0
9 mol 28 unq 1 iso 0 dist 9.72965 7.40415 12.67 7.62989 5.28861 12.0524 numMergedOcc 0
10 mol 28 unq 2 iso 0 dist 9.72965 7.40415 12.67 5.70238 6.94261 10.0581 numMergedOcc 0
11 mol 28 unq 3 iso 0 dist 5.63315 7.40415 7.00226 8.75468 13.2225 10.4406 numMergedOcc 0
12 mol 28 unq 4 iso 0 dist 5.63315 7.40415 7.00226 7.62989 12.3695 12.0524 numMergedOcc 0
13 mol 28 unq 5 iso 0 dist 5.63315 7.40415 7.00226 5.70238 6.33375 10.0581 numMergedOcc 0
14 mol 28 unq 6 iso 0 dist 9.8465 7.40415 5.93722 8.75468 10.8134 10.4406 numMergedOcc 0
15 mol 28 unq 7 iso 0 dist 9.8465 7.40415 5.93722 7.62989 11.956 12.0524 numMergedOcc 0
16 mol 28 unq 8 iso 0 dist 9.8465 7.40415 5.93722 5.70238 8.99305 10.0581 numMergedOcc 0
17 mol 34 unq 0 iso 0 dist 8.63361 6.15801 5.89577 9.31883 14.9872 9.92713 numMergedOcc 0
18 mol 34 unq 1 iso 0 dist 8.63361 6.15801 5.89577 9.475 14.6661 10.6518 numMergedOcc 0
19 mol 34 unq 2 iso 0 dist 8.63361 6.15801 5.89577 8.34011 10.357 5.94977 numMergedOcc 0
20 mol 34 unq 3 iso 0 dist 8.63361 6.15801 5.89577 6.29842 4.465 6.35031 numMergedOcc 0
21 mol 34 unq 4 iso 0 dist 8.63361 9.63403 6.62645 9.31883 14.9872 15.7295 numMergedOcc 0
22 mol 34 unq 5 iso 0 dist 8.63361 9.63403 6.62645 9.475 14.6661 16.8534 numMergedOcc 0
23 mol 34 unq 6 iso 0 dist 8.63361 9.63403 6.62645 8.34011 10.357 12.3865 numMergedOcc 0
24 mol 34 unq 7 iso 0 dist 8.63361 9.63403 6.62645 6.29842 4.465 5.50427 numMergedOcc 0
25 mol 34 unq 8 iso 0 dist 8.63361 8.07314 6.27366 9.31883 14.9872 16.4972 numMergedOcc 0
26 mol 34 unq 9 iso 0 dist 8.63361 8.07314 6.27366 9.475 14.6661 15.5365 numMergedOcc 0
27 mol 34 unq 10 iso 0 dist 8.63361 8.07314 6.27366 8.34011 10.357 13.3825 numMergedOcc 0
28 mol 34 unq 11 iso 0 dist 8.63361 8.07314 6.27366 6.29842 4.465 5.12822 numMergedOcc 0
29 mol 73 unq 0 iso 0 dist 8.58543 7.62738 15.4757 8.59337 12.2331 12.1293 numMergedOcc 0
30 mol 73 unq 1 iso 0 dist 8.58543 7.62738 15.4757 7.66942 4.53496 15.0139 numMergedOcc 0
31 mol 90 unq 0 iso 0 dist 7.51138 7.31784 8.39589 9.08732 11.2933 5.97902 numMergedOcc 0
32 mol 90 unq 1 iso 0 dist 9.86843 7.31784 6.30226 9.08732 5.31762 5.97902 numMergedOcc 0
33 mol 90 unq 2 iso 0 dist 6.86146 7.31784 7.57639 9.08732 5.06489 5.97902 numMergedOcc 0
34 mol 90 unq 3 iso 0 dist 8.83296 7.31784 4.215 9.08732 5.30747 5.97902 numMergedOcc 0
35 mol 92 unq 0 iso 0 dist 8.03028 8.57827 12.6909 7.87729 13.3357 4.15826 numMergedOcc 0
36 mol 92 unq 1 iso 0 dist 8.03028 7.94453 7.57205 7.87729 13.3357 10.1482 numMergedOcc 0
37 mol 92 unq 2 iso 0 dist 7.39754 8.57827 15.1698 7.87729 13.7136 4.15826 numMergedOcc 0
38 mol 92 unq 3 iso 0 dist 7.39754 7.94453 6.82081 7.87729 13.7136 10.1482 numMergedOcc 0
39 mol 93 unq 0 iso 0 dist 5.51624 7.62611 11.4196 6.46217 10.1484 6.4154 numMergedOcc 0
40 mol 93 unq 1 iso 0 dist 7.8674 7.62611 8.05783 6.46217 10.2139 6.4154 numMergedOcc 0
41 mol 105 unq 0 iso 0 dist 8.44437 7.71923 7.41096 9.09664 8.03743 5.8332 numMergedOcc 0
42 mol 105 unq 1 iso 0 dist 8.44437 9.87821 4.88348 9.09664 8.03743 6.30722 numMergedOcc 0
43 mol 105 unq 2 iso 0 dist 8.44437 7.09806 4.22355 9.09664 8.03743 9.73765 numMergedOcc 0
44 mol 109 unq 0 iso 0 dist 9.92553 6.76575 10.9279 9.67274 9.65072 4.8632 numMergedOcc 0
45 mol 131 unq 0 iso 0 dist 7.76594 5.39061 5.66194 4.48699 9.93041 4.94367 numMergedOcc 0
46 mol 141 unq 0 iso 0 dist 8.93453 9.78667 9.21506 8.88454 5.50466 3.80087 numMergedOcc 0
47 mol 141 unq 1 iso 0 dist 8.93453 6.73983 4.38393 8.88454 5.50466 3.80763 numMergedOcc 0
48 mol 141 unq 2 iso 0 dist 8.93453 7.64956 6.06881 8.88454 5.50466 9.98068 numMergedOcc 0
49 mol 143 unq 0 iso 0 dist 5.73236 6.95372 5.99865 8.56866 5.29609 6.36052 numMergedOcc 0
50 mol 143 unq 1 iso 0 dist 5.73236 6.95372 5.99865 5.66207 7.87644 4.5497 numMergedOcc 0
51 mol 147 unq 0 iso 0 dist 9.23528 7.25644 15.9875 7.19893 9.20965 13.5462 numMergedOcc 0
52 mol 147 unq 1 iso 0 dist 9.23528 7.25644 15.9875 6.37938 4.60996 13.2259 numMergedOcc 0
53 mol 152 unq 0 iso 0 dist 8.60521 5.06613 7.72754 5.42715 4.78989 5.83776 numMergedOcc 0
54 mol 152 unq 1 iso 0 dist 8.60521 5.06613 7.72754 9.70575 9.43672 11.2086 numMergedOcc 0
55 mol 156 unq 0 iso 0 dist 5.90883 7.46845 11.3995 5.22104 6.69196 5.64188 numMergedOcc 0
56 mol 156 unq 1 iso 0 dist 8.06913 7.46845 11.6326 5.22104 7.91467 5.64188 numMergedOcc 0
57 mol 162 unq 0 iso 0 dist 8.53374 7.14263 3.76192 9.56342 9.586 6.17752 numMergedOcc 0
58 mol 162 unq 1 iso 0 dist 8.53374 8.57005 11.41 9.56342 9.586 8.7961 numMergedOcc 0
59 mol 163 unq 0 iso 0 dist 7.3546 9.79069 15.9955 7.69757 14.9976 6.5925 numMergedOcc 0
60 mol 163 unq 1 iso 0 dist 7.3546 9.27496 5.87447 7.69757 14.9976 15.5126 numMergedOcc 0
61 mol 175 unq 0 iso 0 dist 7.32419 8.05247 11.2348 7.6741 6.41193 10.297 numMergedOcc 0
62 mol 175 unq 1 iso 0 dist 7.32419 9.71028 8.94702 7.6741 6.41193 11.8094 numMergedOcc 0
63 mol 175 unq 2 iso 0 dist 8.31961 8.05247 9.23758 7.6741 10.568 10.297 numMergedOcc 0
64 mol 175 unq 3 iso 0 dist 8.31961 9.71028 4.06277 7.6741 10.568 11.8094 numMergedOcc 0
65 mol 186 unq 0 iso 0 dist 7.23293 5.45675 5.91678 8.46395 9.42515 5.39534 numMergedOcc 0
66 mol 193 unq 0 iso 0 dist 6.22972 9.41624 3.98356 7.06636 5.43768 6.18551 numMergedOcc 0
67 mol 194 unq 0 iso 0 dist 5.52678 6.37788 5.92931 5.13892 7.82899 3.7326 numMergedOcc 0
68 mol 194 unq 1 iso 0 dist 5.52678 6.37788 5.92931 5.78717 10.0237 7.29209 numMergedOcc 0
69 mol 194 unq 2 iso 0 dist 9.81666 8.7028 5.92931 8.2232 7.82899 3.7326 numMergedOcc 0
70 mol 218 unq 0 iso 0 dist 9.06334 9.32945 7.21841 6.62738 3.98561 7.3057 numMergedOcc 0
71 mol 218 unq 1 iso 0 dist 9.06334 9.32945 7.21841 7.13254 5.11748 10.5867 numMergedOcc 0
72 mol 218 unq 2 iso 0 dist 8.93185 8.3087 9.99277 8.98941 9.11917 8.98584 numMergedOcc 0
73 mol 218 unq 3 iso 0 dist 8.93185 8.3087 9.99277 6.45381 10.6889 3.90135 numMergedOcc 0
74 mol 237 unq 0 iso 0 dist 7.63812 6.07878 11.0622 8.96803 13.4452 4.50383 numMergedOcc 0
75 mol 237 unq 1 iso 0 dist 7.63812 6.07878 11.0622 7.95072 8.49326 11.9967 numMergedOcc 0
76 mol 237 unq 2 iso 0 dist 7.63812 7.80422 9.12884 8.96803 13.4452 9.41259 numMergedOcc 0
77 mol 237 unq 3 iso 0 dist 7.63812 7.80422 9.12884 7.95072 8.49326 9.68512 numMergedOcc 0
78 mol 237 unq 4 iso 0 dist 7.63812 5.06628 6.26206 8.96803 13.4452 12.5736 numMergedOcc 0
79 mol 237 unq 5 iso 0 dist 7.63812 5.06628 6.26206 7.95072 8.49326 3.68966 numMergedOcc 0
80 mol 237 unq 6 iso 0 dist 8.51129 6.07878 10.1757 8.96803 14.1628 4.50383 numMergedOcc 0
81 mol 237 unq 7 iso 0 dist 8.51129 6.07878 10.1757 7.95072 5.41814 11.9967 numMergedOcc 0
82 mol 237 unq 8 iso 0 dist 8.51129 7.80422 5.77883 8.96803 14.1628 9.41259 numMergedOcc 0
83 mol 237 unq 9 iso 0 dist 8.51129 7.80422 5.77883 7.95072 5.41814 9.68512 numMergedOcc 0
84 mol 237 unq 10 iso 0 dist 8.51129 5.06628 3.97854 8.96803 14.1628 12.5736 numMergedOcc 0
85 mol 237 unq 11 iso 0 dist 8.51129 5.06628 3.97854 7.95072 5.41814 3.68966 numMergedOcc 0
86 mol 237 unq 12 iso 0 dist 7.31113 6.11495 6.12402 9.61703 5.15592 5.74428 numMergedOcc 0
87 mol 237 unq 13 iso 0 dist 9.84466 6.11495 10.634 9.61703 8.0982 5.74428 numMergedOcc 0
88 mol 252 unq 0 iso 0 dist 8.55481 7.39391 12.0545 8.38453 14.8966 3.99887 numMergedOcc 0
89 mol 260 unq 0 iso 0 dist 8.3149 7.99521 7.16782 4.64695 4.05076 7.28821 numMergedOcc 0
90 mol 264 unq 0 iso 0 dist 5.74568 7.21655 11.5512 8.78525 7.06901 10.197 numMergedOcc 0
