0 mol 24 unq 0 iso 0 dist 9.54519 6.36381 5.50396 13.2653 5.54419 9.33482 14.1706 4.82629 9.39954 6.6219 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.54519 6.36381 5.50396 13.2653 5.54419 9.33482 16.6394 10.1698 11.9756 5.68215 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.54519 6.36381 5.50396 5.80023 7.36323 7.27472 9.49646 6.28159 3.73215 8.87744 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 6.11056 8.94703 4.79736 10.4744 8.86116 12.3058 10.4056 5.11636 8.32593 7.95042 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.88413 8.27137 11.4148 5.59268 7.17969 4.79873 13.4236 5.68041 12.7147 9.48085 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 9.87281 8.27137 14.1577 6.17631 7.31767 11.4732 12.3312 6.10919 18.1606 7.6114 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 7.63928 8.27137 14.321 6.17631 6.03987 11.4732 12.3312 5.86705 18.1606 7.6114 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 9.65047 9.70292 14.2178 5.69671 8.03644 8.57395 12.0576 15.6249 11.734 8.27883 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 9.65047 9.70292 14.2178 5.69671 8.03644 8.57395 10.4457 12.4896 6.95874 5.75428 numMergedOcc 0
9 mol 95 unq 2 iso 0 dist 9.65047 9.70292 14.2178 5.69671 8.03644 8.57395 9.59704 8.78079 9.43547 9.85409 numMergedOcc 0
10 mol 95 unq 3 iso 0 dist 9.65047 9.59704 8.78079 5.69671 8.03644 9.85409 12.0576 15.6249 17.4304 8.27883 numMergedOcc 0
11 mol 95 unq 4 iso 0 dist 9.65047 9.59704 8.78079 5.69671 8.03644 9.85409 10.4457 12.4896 12.3063 5.75428 numMergedOcc 0
12 mol 95 unq 5 iso 0 dist 9.65047 9.59704 8.78079 5.69671 8.03644 9.85409 9.70292 14.2178 9.43547 8.57395 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 5.9747 8.3505 3.9764 10.4417 6.48948 5.92242 7.34638 7.03983 9.6331 7.02507 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 5.9747 8.3505 3.9764 11.3628 6.10456 5.2571 14.2657 10.4782 6.70343 7.54889 numMergedOcc 0
15 mol 98 unq 2 iso 0 dist 5.9747 7.34638 7.03983 4.75138 5.08437 9.89095 8.3505 3.9764 9.6331 5.10496 numMergedOcc 0
16 mol 98 unq 3 iso 0 dist 5.9747 7.34638 7.03983 10.4417 6.48948 7.02507 8.3505 3.9764 9.6331 5.92242 numMergedOcc 0
17 mol 98 unq 4 iso 0 dist 5.9747 7.34638 7.03983 11.3628 6.10456 12.7417 14.2657 10.4782 16.1571 7.54889 numMergedOcc 0
18 mol 98 unq 5 iso 0 dist 5.9747 7.34638 7.03983 11.3628 6.10456 12.7417 8.3505 3.9764 9.6331 5.2571 numMergedOcc 0
19 mol 98 unq 6 iso 0 dist 4.50572 6.0995 7.03983 6.88489 5.08437 9.89095 8.32269 3.9764 9.6331 5.10496 numMergedOcc 0
20 mol 98 unq 7 iso 0 dist 4.50572 6.0995 7.03983 9.63267 6.48948 7.02507 8.32269 3.9764 9.6331 5.92242 numMergedOcc 0
21 mol 98 unq 8 iso 0 dist 4.50572 6.0995 7.03983 9.82583 6.10456 12.7417 14.7607 10.4782 16.1571 7.54889 numMergedOcc 0
22 mol 98 unq 9 iso 0 dist 4.50572 6.0995 7.03983 9.82583 6.10456 12.7417 8.32269 3.9764 9.6331 5.2571 numMergedOcc 0
23 mol 98 unq 10 iso 0 dist 4.50572 9.25525 13.1657 6.88489 5.08437 15.844 8.32269 3.9764 16.9865 5.10496 numMergedOcc 0
24 mol 98 unq 11 iso 0 dist 4.50572 9.25525 13.1657 9.63267 6.48948 15.731 8.32269 3.9764 16.9865 5.92242 numMergedOcc 0
25 mol 98 unq 12 iso 0 dist 4.50572 9.25525 13.1657 9.63267 6.48948 15.731 6.0995 7.03983 9.27688 7.02507 numMergedOcc 0
26 mol 98 unq 13 iso 0 dist 4.50572 9.25525 13.1657 9.82583 6.10456 18.1227 14.7607 10.4782 23.6289 7.54889 numMergedOcc 0
27 mol 98 unq 14 iso 0 dist 4.50572 9.25525 13.1657 9.82583 6.10456 18.1227 8.32269 3.9764 16.9865 5.2571 numMergedOcc 0
28 mol 109 unq 0 iso 0 dist 8.3164 8.30089 6.35679 11.5656 8.69985 14.6042 9.94704 5.00433 8.76863 8.52024 numMergedOcc 0
29 mol 115 unq 0 iso 0 dist 5.02717 6.31773 5.03039 6.75472 5.83991 10.5599 9.5681 6.01673 9.74247 6.24825 numMergedOcc 0
30 mol 115 unq 1 iso 0 dist 7.95871 9.79864 9.62029 4.86477 6.11741 9.13312 9.29473 6.07067 5.14491 6.39384 numMergedOcc 0
31 mol 115 unq 2 iso 0 dist 7.95871 9.79864 9.62029 12.0354 7.88312 14.3246 17.9091 11.835 15.8956 7.69765 numMergedOcc 0
32 mol 115 unq 3 iso 0 dist 7.95871 9.79864 9.62029 12.0354 7.88312 14.3246 9.29473 6.07067 5.14491 9.42082 numMergedOcc 0
33 mol 117 unq 0 iso 0 dist 6.90827 6.78655 3.55765 10.4485 7.90328 10.4223 15.0886 10.5783 12.4037 6.10127 numMergedOcc 0
34 mol 117 unq 1 iso 0 dist 8.90977 9.42037 3.55765 13.8755 7.90328 10.4223 18.6425 10.5783 12.4037 6.10127 numMergedOcc 0
35 mol 129 unq 0 iso 0 dist 6.38163 6.53559 6.28232 10.0961 5.83384 11.7541 14.5306 9.00231 14.9816 5.58833 numMergedOcc 0
36 mol 129 unq 1 iso 0 dist 6.38163 7.90844 12.3705 10.0961 5.83384 17.1791 14.5306 9.00231 20.4446 5.58833 numMergedOcc 0
37 mol 132 unq 0 iso 0 dist 8.7366 9.98509 4.04586 4.90475 7.7059 9.64688 10.6383 12.9631 13.6757 6.89918 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 9.55556 8.78303 7.41373 6.36794 9.86662 8.69531 10.6236 12.8086 5.83782 9.1998 numMergedOcc 0
39 mol 152 unq 0 iso 0 dist 8.07256 9.81212 7.68889 10.4039 8.56324 15.817 12.0918 5.39112 12.8053 6.59889 numMergedOcc 0
40 mol 152 unq 1 iso 0 dist 8.07256 9.81212 7.68889 10.4039 8.56324 15.817 11.756 4.84714 11.1801 8.9192 numMergedOcc 0
41 mol 152 unq 2 iso 0 dist 8.07256 9.81212 7.68889 11.1874 6.70283 12.3868 12.0918 5.39112 12.8053 6.70693 numMergedOcc 0
42 mol 205 unq 0 iso 0 dist 5.4913 8.69512 12.8695 6.8901 7.45763 14.2129 5.06713 8.67921 8.2248 6.49765 numMergedOcc 0
43 mol 227 unq 0 iso 0 dist 9.07872 7.90991 13.2135 9.9474 7.09863 16.9681 13.0848 5.83175 18.6247 5.23634 numMergedOcc 0
44 mol 236 unq 0 iso 0 dist 6.11137 9.94117 10.5937 9.01197 6.27581 15.106 14.0625 10.5774 13.5119 9.3206 numMergedOcc 0
45 mol 238 unq 0 iso 0 dist 9.66555 6.96382 6.82305 12.2428 6.22714 10.1172 12.6412 12.7938 11.1752 9.08509 numMergedOcc 0
46 mol 259 unq 0 iso 0 dist 9.12507 4.95855 7.09907 5.59901 5.30224 6.9899 10.7775 4.04513 8.0048 8.03219 numMergedOcc 0
47 mol 259 unq 1 iso 0 dist 9.12507 7.72489 9.71793 5.59901 5.30224 10.4017 10.7775 4.04513 10.1712 8.03219 numMergedOcc 0
48 mol 259 unq 2 iso 0 dist 9.12507 7.72489 9.71793 5.59901 5.30224 10.4017 4.95855 7.09907 3.51848 6.9899 numMergedOcc 0
49 mol 292 unq 0 iso 0 dist 9.30668 5.72473 7.8414 8.04474 8.2734 7.20674 12.7549 14.179 9.14614 8.38121 numMergedOcc 0
