0 mol 24 unq 0 iso 0 dist 7.40392 10.9024 9.54519 8.23069 5.54419 13.2653 8.59466 7.36323 5.80023 12.3067 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 7.40392 10.9024 9.54519 8.59466 7.36323 5.80023 8.23069 5.54419 13.2653 12.3067 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.94828 4.93826 8.40051 14.2406 7.57578 13.466 15.6642 7.17969 14.4191 4.33106 numMergedOcc 0
3 mol 25 unq 0 iso 1 dist 8.94828 4.93826 8.40051 15.6642 7.17969 14.4191 14.2406 7.57578 13.466 4.33106 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.06275 6.41579 8.38387 5.5249 8.80331 11.0096 10.4413 6.20293 11.8286 8.13395 numMergedOcc 0
5 mol 43 unq 0 iso 1 dist 8.06275 6.41579 8.38387 10.4413 6.20293 11.8286 5.5249 8.80331 11.0096 8.13395 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 8.90024 14.9559 8.38387 13.9129 8.80331 11.0096 5.84171 6.20293 11.8286 8.13395 numMergedOcc 0
7 mol 43 unq 1 iso 1 dist 8.90024 14.9559 8.38387 5.84171 6.20293 11.8286 13.9129 8.80331 11.0096 8.13395 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 9.83528 13.0144 5.9747 12.3158 5.08437 4.75138 15.1765 6.48948 10.4417 9.51923 numMergedOcc 0
9 mol 98 unq 0 iso 1 dist 9.83528 13.0144 5.9747 15.1765 6.48948 10.4417 12.3158 5.08437 4.75138 9.51923 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 9.83528 13.0144 5.9747 12.3158 5.08437 4.75138 8.06684 6.10456 11.3628 8.40073 numMergedOcc 0
11 mol 98 unq 1 iso 1 dist 9.83528 13.0144 5.9747 8.06684 6.10456 11.3628 12.3158 5.08437 4.75138 8.40073 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 9.83528 13.0144 5.9747 15.1765 6.48948 10.4417 8.06684 6.10456 11.3628 9.42358 numMergedOcc 0
13 mol 98 unq 1 iso 1 dist 9.83528 13.0144 5.9747 8.06684 6.10456 11.3628 15.1765 6.48948 10.4417 9.42358 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 9.83528 10.11 4.50572 12.3158 5.08437 6.88489 15.1765 6.48948 9.63267 9.51923 numMergedOcc 0
15 mol 98 unq 2 iso 1 dist 9.83528 10.11 4.50572 15.1765 6.48948 9.63267 12.3158 5.08437 6.88489 9.51923 numMergedOcc 0
16 mol 98 unq 3 iso 0 dist 9.83528 10.11 4.50572 12.3158 5.08437 6.88489 8.06684 6.10456 9.82583 8.40073 numMergedOcc 0
17 mol 98 unq 3 iso 1 dist 9.83528 10.11 4.50572 8.06684 6.10456 9.82583 12.3158 5.08437 6.88489 8.40073 numMergedOcc 0
18 mol 98 unq 3 iso 0 dist 9.83528 10.11 4.50572 15.1765 6.48948 9.63267 8.06684 6.10456 9.82583 9.42358 numMergedOcc 0
19 mol 98 unq 3 iso 1 dist 9.83528 10.11 4.50572 8.06684 6.10456 9.82583 15.1765 6.48948 9.63267 9.42358 numMergedOcc 0
20 mol 98 unq 4 iso 0 dist 7.54969 12.9828 5.9747 11.7493 5.08437 4.75138 10.3366 6.48948 10.4417 9.51923 numMergedOcc 0
21 mol 98 unq 4 iso 1 dist 7.54969 12.9828 5.9747 10.3366 6.48948 10.4417 11.7493 5.08437 4.75138 9.51923 numMergedOcc 0
22 mol 98 unq 5 iso 0 dist 7.54969 12.9828 5.9747 11.7493 5.08437 4.75138 5.15322 6.10456 11.3628 8.40073 numMergedOcc 0
23 mol 98 unq 5 iso 1 dist 7.54969 12.9828 5.9747 5.15322 6.10456 11.3628 11.7493 5.08437 4.75138 8.40073 numMergedOcc 0
24 mol 98 unq 5 iso 0 dist 7.54969 12.9828 5.9747 10.3366 6.48948 10.4417 5.15322 6.10456 11.3628 9.42358 numMergedOcc 0
25 mol 98 unq 5 iso 1 dist 7.54969 12.9828 5.9747 5.15322 6.10456 11.3628 10.3366 6.48948 10.4417 9.42358 numMergedOcc 0
26 mol 98 unq 6 iso 0 dist 7.54969 9.82501 4.50572 11.7493 5.08437 6.88489 10.3366 6.48948 9.63267 9.51923 numMergedOcc 0
27 mol 98 unq 6 iso 1 dist 7.54969 9.82501 4.50572 10.3366 6.48948 9.63267 11.7493 5.08437 6.88489 9.51923 numMergedOcc 0
28 mol 98 unq 7 iso 0 dist 7.54969 9.82501 4.50572 11.7493 5.08437 6.88489 5.15322 6.10456 9.82583 8.40073 numMergedOcc 0
29 mol 98 unq 7 iso 1 dist 7.54969 9.82501 4.50572 5.15322 6.10456 9.82583 11.7493 5.08437 6.88489 8.40073 numMergedOcc 0
30 mol 98 unq 7 iso 0 dist 7.54969 9.82501 4.50572 10.3366 6.48948 9.63267 5.15322 6.10456 9.82583 9.42358 numMergedOcc 0
31 mol 98 unq 7 iso 1 dist 7.54969 9.82501 4.50572 5.15322 6.10456 9.82583 10.3366 6.48948 9.63267 9.42358 numMergedOcc 0
32 mol 120 unq 0 iso 0 dist 5.06555 8.75149 7.04864 7.75534 8.75408 4.5543 5.61914 6.44653 6.81949 5.23036 numMergedOcc 0
33 mol 120 unq 0 iso 1 dist 5.06555 8.75149 7.04864 5.61914 6.44653 6.81949 7.75534 8.75408 4.5543 5.23036 numMergedOcc 0
34 mol 133 unq 0 iso 0 dist 9.94179 11.088 9.3894 6.75154 6.5107 4.84607 6.70853 9.52634 13.0836 9.56949 numMergedOcc 0
35 mol 133 unq 0 iso 1 dist 9.94179 11.088 9.3894 6.70853 9.52634 13.0836 6.75154 6.5107 4.84607 9.56949 numMergedOcc 0
36 mol 133 unq 1 iso 0 dist 9.00172 13.3005 5.82404 13.2145 6.29155 10.2385 15.719 6.80239 4.64588 7.81217 numMergedOcc 0
37 mol 133 unq 1 iso 1 dist 9.00172 13.3005 5.82404 15.719 6.80239 4.64588 13.2145 6.29155 10.2385 7.81217 numMergedOcc 0
38 mol 133 unq 2 iso 0 dist 9.00172 13.3005 5.82404 13.2145 6.29155 10.2385 14.0905 8.00618 5.37072 11.965 numMergedOcc 0
39 mol 133 unq 2 iso 1 dist 9.00172 13.3005 5.82404 14.0905 8.00618 5.37072 13.2145 6.29155 10.2385 11.965 numMergedOcc 0
40 mol 133 unq 2 iso 0 dist 9.00172 13.3005 5.82404 15.719 6.80239 4.64588 14.0905 8.00618 5.37072 7.79672 numMergedOcc 0
41 mol 133 unq 2 iso 1 dist 9.00172 13.3005 5.82404 14.0905 8.00618 5.37072 15.719 6.80239 4.64588 7.79672 numMergedOcc 0
42 mol 134 unq 0 iso 0 dist 8.84656 18.3189 9.60411 10.879 6.37586 10.5108 16.7911 9.71307 6.20443 6.81259 numMergedOcc 0
43 mol 134 unq 0 iso 1 dist 8.84656 18.3189 9.60411 16.7911 9.71307 6.20443 10.879 6.37586 10.5108 6.81259 numMergedOcc 0
44 mol 152 unq 0 iso 0 dist 8.34839 6.11789 8.07256 5.65129 8.56324 10.4039 10.5295 6.70283 11.1874 7.65448 numMergedOcc 0
45 mol 152 unq 0 iso 1 dist 8.34839 6.11789 8.07256 10.5295 6.70283 11.1874 5.65129 8.56324 10.4039 7.65448 numMergedOcc 0
46 mol 152 unq 1 iso 0 dist 8.34839 6.11789 8.07256 5.65129 8.56324 10.4039 10.7929 7.16148 8.36099 10.6875 numMergedOcc 0
47 mol 152 unq 1 iso 1 dist 8.34839 6.11789 8.07256 10.7929 7.16148 8.36099 5.65129 8.56324 10.4039 10.6875 numMergedOcc 0
48 mol 152 unq 1 iso 0 dist 8.34839 6.11789 8.07256 10.5295 6.70283 11.1874 10.7929 7.16148 8.36099 5.49936 numMergedOcc 0
49 mol 152 unq 1 iso 1 dist 8.34839 6.11789 8.07256 10.7929 7.16148 8.36099 10.5295 6.70283 11.1874 5.49936 numMergedOcc 0
50 mol 236 unq 0 iso 0 dist 5.77925 8.55909 8.90987 6.59536 8.03456 5.26654 8.93012 6.84306 3.82437 5.79505 numMergedOcc 0
51 mol 236 unq 0 iso 1 dist 5.77925 8.55909 8.90987 8.93012 6.84306 3.82437 6.59536 8.03456 5.26654 5.79505 numMergedOcc 0
52 mol 236 unq 1 iso 0 dist 5.77925 8.55909 8.90987 6.59536 8.03456 5.26654 12.1686 9.99038 13.8124 9.90963 numMergedOcc 0
53 mol 236 unq 1 iso 1 dist 5.77925 8.55909 8.90987 12.1686 9.99038 13.8124 6.59536 8.03456 5.26654 9.90963 numMergedOcc 0
54 mol 236 unq 2 iso 0 dist 5.77925 8.55909 8.90987 6.59536 8.03456 5.26654 5.48757 9.78037 11.2846 6.96005 numMergedOcc 0
55 mol 236 unq 2 iso 1 dist 5.77925 8.55909 8.90987 5.48757 9.78037 11.2846 6.59536 8.03456 5.26654 6.96005 numMergedOcc 0
56 mol 236 unq 3 iso 0 dist 5.77925 8.55909 8.90987 6.59536 8.03456 5.26654 10.5925 8.35971 16.8883 14.2337 numMergedOcc 0
57 mol 236 unq 3 iso 1 dist 5.77925 8.55909 8.90987 10.5925 8.35971 16.8883 6.59536 8.03456 5.26654 14.2337 numMergedOcc 0
58 mol 236 unq 1 iso 0 dist 5.77925 8.55909 8.90987 8.93012 6.84306 3.82437 12.1686 9.99038 13.8124 11.3368 numMergedOcc 0
59 mol 236 unq 1 iso 1 dist 5.77925 8.55909 8.90987 12.1686 9.99038 13.8124 8.93012 6.84306 3.82437 11.3368 numMergedOcc 0
60 mol 236 unq 2 iso 0 dist 5.77925 8.55909 8.90987 8.93012 6.84306 3.82437 5.48757 9.78037 11.2846 11.8739 numMergedOcc 0
61 mol 236 unq 2 iso 1 dist 5.77925 8.55909 8.90987 5.48757 9.78037 11.2846 8.93012 6.84306 3.82437 11.8739 numMergedOcc 0
62 mol 236 unq 3 iso 0 dist 5.77925 8.55909 8.90987 8.93012 6.84306 3.82437 10.5925 8.35971 16.8883 14.7998 numMergedOcc 0
63 mol 236 unq 3 iso 1 dist 5.77925 8.55909 8.90987 10.5925 8.35971 16.8883 8.93012 6.84306 3.82437 14.7998 numMergedOcc 0
64 mol 236 unq 2 iso 0 dist 5.77925 8.55909 8.90987 12.1686 9.99038 13.8124 5.48757 9.78037 11.2846 11.1557 numMergedOcc 0
65 mol 236 unq 2 iso 1 dist 5.77925 8.55909 8.90987 5.48757 9.78037 11.2846 12.1686 9.99038 13.8124 11.1557 numMergedOcc 0
66 mol 236 unq 3 iso 0 dist 5.77925 8.55909 8.90987 12.1686 9.99038 13.8124 10.5925 8.35971 16.8883 10.7497 numMergedOcc 0
67 mol 236 unq 3 iso 1 dist 5.77925 8.55909 8.90987 10.5925 8.35971 16.8883 12.1686 9.99038 13.8124 10.7497 numMergedOcc 0
68 mol 236 unq 3 iso 0 dist 5.77925 8.55909 8.90987 5.48757 9.78037 11.2846 10.5925 8.35971 16.8883 12.0369 numMergedOcc 0
69 mol 236 unq 3 iso 1 dist 5.77925 8.55909 8.90987 10.5925 8.35971 16.8883 5.48757 9.78037 11.2846 12.0369 numMergedOcc 0
70 mol 236 unq 4 iso 0 dist 8.95071 9.48296 5.66569 18.4732 9.99038 11.2013 12.8358 6.27581 4.15973 7.28249 numMergedOcc 0
71 mol 236 unq 4 iso 1 dist 8.95071 9.48296 5.66569 12.8358 6.27581 4.15973 18.4732 9.99038 11.2013 7.28249 numMergedOcc 0
72 mol 236 unq 5 iso 0 dist 8.95071 5.05085 6.11137 18.4732 9.99038 15.1664 12.8358 6.27581 9.01197 7.28249 numMergedOcc 0
73 mol 236 unq 5 iso 1 dist 8.95071 5.05085 6.11137 12.8358 6.27581 9.01197 18.4732 9.99038 15.1664 7.28249 numMergedOcc 0
74 mol 264 unq 0 iso 0 dist 7.37999 9.36659 8.43858 4.72487 9.361 10.2215 11.0659 6.24356 8.55312 10.3202 numMergedOcc 0
75 mol 264 unq 0 iso 1 dist 7.37999 9.36659 8.43858 11.0659 6.24356 8.55312 4.72487 9.361 10.2215 10.3202 numMergedOcc 0
76 mol 264 unq 1 iso 0 dist 7.36703 6.52963 8.43858 5.28781 9.361 10.2215 5.91731 6.24356 8.55312 10.3202 numMergedOcc 0
77 mol 264 unq 1 iso 1 dist 7.36703 6.52963 8.43858 5.91731 6.24356 8.55312 5.28781 9.361 10.2215 10.3202 numMergedOcc 0
