0 mol 24 unq 0 iso 0 dist 8.62284 5.90981 9.69752 13.719 9.36461 10.2653 6.72423 9.41655 7.02381 14.1137 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 8.62284 13.719 9.36461 5.90981 9.69752 10.2653 6.72423 9.41655 14.1137 7.02381 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.62284 5.90981 9.69752 13.719 9.36461 10.2653 4.0664 6.803 7.18485 13.4584 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 8.62284 13.719 9.36461 5.90981 9.69752 10.2653 4.0664 6.803 13.4584 7.18485 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 6.93364 6.45654 6.15801 11.9626 9.63403 6.47508 3.8237 9.31883 9.92713 15.7295 numMergedOcc 0
5 mol 34 unq 0 iso 1 dist 6.93364 11.9626 9.63403 6.45654 6.15801 6.47508 3.8237 9.31883 15.7295 9.92713 numMergedOcc 0
6 mol 34 unq 1 iso 0 dist 6.93364 6.45654 6.15801 11.9626 9.63403 6.47508 6.07532 9.475 10.6518 16.8534 numMergedOcc 0
7 mol 34 unq 1 iso 1 dist 6.93364 11.9626 9.63403 6.45654 6.15801 6.47508 6.07532 9.475 16.8534 10.6518 numMergedOcc 0
8 mol 34 unq 2 iso 0 dist 6.93364 6.45654 6.15801 11.9626 9.63403 6.47508 4.47743 8.34011 5.94977 12.3865 numMergedOcc 0
9 mol 34 unq 2 iso 1 dist 6.93364 11.9626 9.63403 6.45654 6.15801 6.47508 4.47743 8.34011 12.3865 5.94977 numMergedOcc 0
10 mol 34 unq 3 iso 0 dist 6.93364 6.45654 6.15801 11.9626 9.63403 6.47508 11.418 6.29842 6.35031 5.50427 numMergedOcc 0
11 mol 34 unq 3 iso 1 dist 6.93364 11.9626 9.63403 6.45654 6.15801 6.47508 11.418 6.29842 5.50427 6.35031 numMergedOcc 0
12 mol 34 unq 4 iso 0 dist 6.93364 6.45654 6.15801 14.1223 8.07314 9.89387 3.8237 9.31883 9.92713 16.4972 numMergedOcc 0
13 mol 34 unq 4 iso 1 dist 6.93364 14.1223 8.07314 6.45654 6.15801 9.89387 3.8237 9.31883 16.4972 9.92713 numMergedOcc 0
14 mol 34 unq 5 iso 0 dist 6.93364 6.45654 6.15801 14.1223 8.07314 9.89387 6.07532 9.475 10.6518 15.5365 numMergedOcc 0
15 mol 34 unq 5 iso 1 dist 6.93364 14.1223 8.07314 6.45654 6.15801 9.89387 6.07532 9.475 15.5365 10.6518 numMergedOcc 0
16 mol 34 unq 6 iso 0 dist 6.93364 6.45654 6.15801 14.1223 8.07314 9.89387 4.47743 8.34011 5.94977 13.3825 numMergedOcc 0
17 mol 34 unq 6 iso 1 dist 6.93364 14.1223 8.07314 6.45654 6.15801 9.89387 4.47743 8.34011 13.3825 5.94977 numMergedOcc 0
18 mol 34 unq 7 iso 0 dist 6.93364 6.45654 6.15801 14.1223 8.07314 9.89387 11.418 6.29842 6.35031 5.12822 numMergedOcc 0
19 mol 34 unq 7 iso 1 dist 6.93364 14.1223 8.07314 6.45654 6.15801 9.89387 11.418 6.29842 5.12822 6.35031 numMergedOcc 0
20 mol 34 unq 4 iso 0 dist 6.93364 11.9626 9.63403 14.1223 8.07314 10.4405 3.8237 9.31883 15.7295 16.4972 numMergedOcc 0
21 mol 34 unq 4 iso 1 dist 6.93364 14.1223 8.07314 11.9626 9.63403 10.4405 3.8237 9.31883 16.4972 15.7295 numMergedOcc 0
22 mol 34 unq 5 iso 0 dist 6.93364 11.9626 9.63403 14.1223 8.07314 10.4405 6.07532 9.475 16.8534 15.5365 numMergedOcc 0
23 mol 34 unq 5 iso 1 dist 6.93364 14.1223 8.07314 11.9626 9.63403 10.4405 6.07532 9.475 15.5365 16.8534 numMergedOcc 0
24 mol 34 unq 6 iso 0 dist 6.93364 11.9626 9.63403 14.1223 8.07314 10.4405 4.47743 8.34011 12.3865 13.3825 numMergedOcc 0
25 mol 34 unq 6 iso 1 dist 6.93364 14.1223 8.07314 11.9626 9.63403 10.4405 4.47743 8.34011 13.3825 12.3865 numMergedOcc 0
26 mol 34 unq 7 iso 0 dist 6.93364 11.9626 9.63403 14.1223 8.07314 10.4405 11.418 6.29842 5.50427 5.12822 numMergedOcc 0
27 mol 34 unq 7 iso 1 dist 6.93364 14.1223 8.07314 11.9626 9.63403 10.4405 11.418 6.29842 5.12822 5.50427 numMergedOcc 0
28 mol 34 unq 8 iso 0 dist 6.34821 7.35043 6.15801 13.4874 9.63403 6.47508 4.97937 9.31883 9.92713 15.7295 numMergedOcc 0
29 mol 34 unq 8 iso 1 dist 6.34821 13.4874 9.63403 7.35043 6.15801 6.47508 4.97937 9.31883 15.7295 9.92713 numMergedOcc 0
30 mol 34 unq 9 iso 0 dist 6.34821 7.35043 6.15801 13.4874 9.63403 6.47508 3.68737 9.475 10.6518 16.8534 numMergedOcc 0
31 mol 34 unq 9 iso 1 dist 6.34821 13.4874 9.63403 7.35043 6.15801 6.47508 3.68737 9.475 16.8534 10.6518 numMergedOcc 0
32 mol 34 unq 10 iso 0 dist 6.34821 7.35043 6.15801 13.4874 9.63403 6.47508 3.93021 8.34011 5.94977 12.3865 numMergedOcc 0
33 mol 34 unq 10 iso 1 dist 6.34821 13.4874 9.63403 7.35043 6.15801 6.47508 3.93021 8.34011 12.3865 5.94977 numMergedOcc 0
34 mol 34 unq 11 iso 0 dist 6.34821 7.35043 6.15801 13.4874 9.63403 6.47508 11.1366 6.29842 6.35031 5.50427 numMergedOcc 0
35 mol 34 unq 11 iso 1 dist 6.34821 13.4874 9.63403 7.35043 6.15801 6.47508 11.1366 6.29842 5.50427 6.35031 numMergedOcc 0
36 mol 34 unq 12 iso 0 dist 6.34821 7.35043 6.15801 12.0754 8.07314 9.89387 4.97937 9.31883 9.92713 16.4972 numMergedOcc 0
37 mol 34 unq 12 iso 1 dist 6.34821 12.0754 8.07314 7.35043 6.15801 9.89387 4.97937 9.31883 16.4972 9.92713 numMergedOcc 0
38 mol 34 unq 13 iso 0 dist 6.34821 7.35043 6.15801 12.0754 8.07314 9.89387 3.68737 9.475 10.6518 15.5365 numMergedOcc 0
39 mol 34 unq 13 iso 1 dist 6.34821 12.0754 8.07314 7.35043 6.15801 9.89387 3.68737 9.475 15.5365 10.6518 numMergedOcc 0
40 mol 34 unq 14 iso 0 dist 6.34821 7.35043 6.15801 12.0754 8.07314 9.89387 3.93021 8.34011 5.94977 13.3825 numMergedOcc 0
41 mol 34 unq 14 iso 1 dist 6.34821 12.0754 8.07314 7.35043 6.15801 9.89387 3.93021 8.34011 13.3825 5.94977 numMergedOcc 0
42 mol 34 unq 15 iso 0 dist 6.34821 7.35043 6.15801 12.0754 8.07314 9.89387 11.1366 6.29842 6.35031 5.12822 numMergedOcc 0
43 mol 34 unq 15 iso 1 dist 6.34821 12.0754 8.07314 7.35043 6.15801 9.89387 11.1366 6.29842 5.12822 6.35031 numMergedOcc 0
44 mol 34 unq 12 iso 0 dist 6.34821 13.4874 9.63403 12.0754 8.07314 10.4405 4.97937 9.31883 15.7295 16.4972 numMergedOcc 0
45 mol 34 unq 12 iso 1 dist 6.34821 12.0754 8.07314 13.4874 9.63403 10.4405 4.97937 9.31883 16.4972 15.7295 numMergedOcc 0
46 mol 34 unq 13 iso 0 dist 6.34821 13.4874 9.63403 12.0754 8.07314 10.4405 3.68737 9.475 16.8534 15.5365 numMergedOcc 0
47 mol 34 unq 13 iso 1 dist 6.34821 12.0754 8.07314 13.4874 9.63403 10.4405 3.68737 9.475 15.5365 16.8534 numMergedOcc 0
48 mol 34 unq 14 iso 0 dist 6.34821 13.4874 9.63403 12.0754 8.07314 10.4405 3.93021 8.34011 12.3865 13.3825 numMergedOcc 0
49 mol 34 unq 14 iso 1 dist 6.34821 12.0754 8.07314 13.4874 9.63403 10.4405 3.93021 8.34011 13.3825 12.3865 numMergedOcc 0
50 mol 34 unq 15 iso 0 dist 6.34821 13.4874 9.63403 12.0754 8.07314 10.4405 11.1366 6.29842 5.50427 5.12822 numMergedOcc 0
51 mol 34 unq 15 iso 1 dist 6.34821 12.0754 8.07314 13.4874 9.63403 10.4405 11.1366 6.29842 5.12822 5.50427 numMergedOcc 0
52 mol 92 unq 0 iso 0 dist 9.20197 10.7055 8.57827 6.91947 7.94453 11.7781 11.6562 7.87729 4.15826 10.1482 numMergedOcc 0
53 mol 92 unq 0 iso 1 dist 9.20197 6.91947 7.94453 10.7055 8.57827 11.7781 11.6562 7.87729 10.1482 4.15826 numMergedOcc 0
54 mol 158 unq 0 iso 0 dist 6.39981 5.42969 6.76055 4.77562 9.36343 6.97949 5.30823 8.06621 9.64397 5.16839 numMergedOcc 0
55 mol 158 unq 0 iso 1 dist 6.39981 4.77562 9.36343 5.42969 6.76055 6.97949 5.30823 8.06621 5.16839 9.64397 numMergedOcc 0
56 mol 163 unq 0 iso 0 dist 8.21476 15.4471 9.79069 9.33755 9.27496 15.4815 11.6682 7.69757 6.5925 15.5126 numMergedOcc 0
57 mol 163 unq 0 iso 1 dist 8.21476 9.33755 9.27496 15.4471 9.79069 15.4815 11.6682 7.69757 15.5126 6.5925 numMergedOcc 0
58 mol 163 unq 1 iso 0 dist 7.66897 9.54216 9.79069 10.7572 9.27496 15.4815 7.1982 7.69757 6.5925 15.5126 numMergedOcc 0
59 mol 163 unq 1 iso 1 dist 7.66897 10.7572 9.27496 9.54216 9.79069 15.4815 7.1982 7.69757 15.5126 6.5925 numMergedOcc 0
60 mol 175 unq 0 iso 0 dist 7.01126 4.30489 5.89564 4.57622 5.60528 6.75531 5.31608 6.90373 3.6642 6.03236 numMergedOcc 0
61 mol 175 unq 0 iso 1 dist 7.01126 4.57622 5.60528 4.30489 5.89564 6.75531 5.31608 6.90373 6.03236 3.6642 numMergedOcc 0
62 mol 182 unq 0 iso 0 dist 8.89822 11.9845 8.2169 12.8718 8.52103 5.97071 15.2041 8.62437 7.36876 3.73864 numMergedOcc 0
63 mol 182 unq 0 iso 1 dist 8.89822 12.8718 8.52103 11.9845 8.2169 5.97071 15.2041 8.62437 3.73864 7.36876 numMergedOcc 0
64 mol 182 unq 1 iso 0 dist 8.89822 11.9845 8.2169 12.8718 8.52103 5.97071 9.61248 7.07405 4.17332 3.85553 numMergedOcc 0
65 mol 182 unq 1 iso 1 dist 8.89822 12.8718 8.52103 11.9845 8.2169 5.97071 9.61248 7.07405 3.85553 4.17332 numMergedOcc 0
66 mol 210 unq 0 iso 0 dist 6.4829 5.96222 5.57779 10.1011 7.05649 7.33239 3.82667 8.83523 5.88175 9.89707 numMergedOcc 0
67 mol 210 unq 0 iso 1 dist 6.4829 10.1011 7.05649 5.96222 5.57779 7.33239 3.82667 8.83523 9.89707 5.88175 numMergedOcc 0
68 mol 210 unq 1 iso 0 dist 6.4829 5.96222 5.57779 12.5026 6.78579 8.67862 3.82667 8.83523 5.88175 13.4242 numMergedOcc 0
69 mol 210 unq 1 iso 1 dist 6.4829 12.5026 6.78579 5.96222 5.57779 8.67862 3.82667 8.83523 13.4242 5.88175 numMergedOcc 0
70 mol 210 unq 1 iso 0 dist 6.4829 10.1011 7.05649 12.5026 6.78579 5.72053 3.82667 8.83523 9.89707 13.4242 numMergedOcc 0
71 mol 210 unq 1 iso 1 dist 6.4829 12.5026 6.78579 10.1011 7.05649 5.72053 3.82667 8.83523 13.4242 9.89707 numMergedOcc 0
72 mol 237 unq 0 iso 0 dist 7.33613 4.7134 6.07878 6.42587 7.80422 5.62416 5.11578 8.96803 4.50383 9.41259 numMergedOcc 0
73 mol 237 unq 0 iso 1 dist 7.33613 6.42587 7.80422 4.7134 6.07878 5.62416 5.11578 8.96803 9.41259 4.50383 numMergedOcc 0
74 mol 237 unq 1 iso 0 dist 7.33613 4.7134 6.07878 6.42587 7.80422 5.62416 13.2415 7.95072 11.9967 9.68512 numMergedOcc 0
75 mol 237 unq 1 iso 1 dist 7.33613 6.42587 7.80422 4.7134 6.07878 5.62416 13.2415 7.95072 9.68512 11.9967 numMergedOcc 0
76 mol 237 unq 2 iso 0 dist 7.33613 4.7134 6.07878 9.55218 5.06628 8.65228 5.11578 8.96803 4.50383 12.5736 numMergedOcc 0
77 mol 237 unq 2 iso 1 dist 7.33613 9.55218 5.06628 4.7134 6.07878 8.65228 5.11578 8.96803 12.5736 4.50383 numMergedOcc 0
78 mol 237 unq 3 iso 0 dist 7.33613 4.7134 6.07878 9.55218 5.06628 8.65228 13.2415 7.95072 11.9967 3.68966 numMergedOcc 0
79 mol 237 unq 3 iso 1 dist 7.33613 9.55218 5.06628 4.7134 6.07878 8.65228 13.2415 7.95072 3.68966 11.9967 numMergedOcc 0
80 mol 237 unq 2 iso 0 dist 7.33613 6.42587 7.80422 9.55218 5.06628 6.60537 5.11578 8.96803 9.41259 12.5736 numMergedOcc 0
81 mol 237 unq 2 iso 1 dist 7.33613 9.55218 5.06628 6.42587 7.80422 6.60537 5.11578 8.96803 12.5736 9.41259 numMergedOcc 0
82 mol 237 unq 3 iso 0 dist 7.33613 6.42587 7.80422 9.55218 5.06628 6.60537 13.2415 7.95072 9.68512 3.68966 numMergedOcc 0
83 mol 237 unq 3 iso 1 dist 7.33613 9.55218 5.06628 6.42587 7.80422 6.60537 13.2415 7.95072 3.68966 9.68512 numMergedOcc 0
84 mol 282 unq 0 iso 0 dist 9.96468 6.18986 8.53065 9.09482 8.67489 12.6015 14.9487 9.9322 9.21292 17.93 numMergedOcc 0
85 mol 282 unq 0 iso 1 dist 9.96468 9.09482 8.67489 6.18986 8.53065 12.6015 14.9487 9.9322 17.93 9.21292 numMergedOcc 0
86 mol 282 unq 1 iso 0 dist 9.59817 10.2999 8.53065 6.21176 8.67489 12.6015 17.4495 9.9322 9.21292 17.93 numMergedOcc 0
87 mol 282 unq 1 iso 1 dist 9.59817 6.21176 8.67489 10.2999 8.53065 12.6015 17.4495 9.9322 17.93 9.21292 numMergedOcc 0
