0 mol 7 unq 0 iso 0 dist 9.8603 14.6665 7.10621 16.2118 7.12508 6.1206 18.9985 11.143 7.67927 4.80709 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.8603 14.6665 7.10621 18.9985 11.143 7.67927 16.2118 7.12508 6.1206 4.80709 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.36377 4.78943 5.05803 9.30877 5.01101 6.42835 9.8871 4.65873 6.57331 6.09368 numMergedOcc 0
3 mol 16 unq 0 iso 1 dist 6.36377 4.78943 5.05803 9.8871 4.65873 6.57331 9.30877 5.01101 6.42835 6.09368 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 14.1706 4.82629 6.6219 16.6394 10.1698 5.68215 10.512 numMergedOcc 0
5 mol 24 unq 0 iso 1 dist 9.54519 13.2653 5.54419 16.6394 10.1698 5.68215 14.1706 4.82629 6.6219 10.512 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 9.54519 5.80023 7.36323 9.49646 6.28159 8.87744 6.36381 5.50396 7.27472 3.73215 numMergedOcc 0
7 mol 24 unq 1 iso 1 dist 9.54519 5.80023 7.36323 6.36381 5.50396 7.27472 9.49646 6.28159 8.87744 3.73215 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 8.88413 5.59268 7.17969 8.27137 11.4148 4.79873 13.4236 5.68041 9.48085 12.7147 numMergedOcc 0
9 mol 25 unq 0 iso 1 dist 8.88413 5.59268 7.17969 13.4236 5.68041 9.48085 8.27137 11.4148 4.79873 12.7147 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 9.65047 5.69671 8.03644 12.0576 15.6249 8.27883 10.4457 12.4896 5.75428 6.27231 numMergedOcc 0
11 mol 95 unq 0 iso 1 dist 9.65047 5.69671 8.03644 10.4457 12.4896 5.75428 12.0576 15.6249 8.27883 6.27231 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 9.65047 5.69671 8.03644 12.0576 15.6249 8.27883 9.70292 14.2178 8.57395 11.734 numMergedOcc 0
13 mol 95 unq 1 iso 1 dist 9.65047 5.69671 8.03644 9.70292 14.2178 8.57395 12.0576 15.6249 8.27883 11.734 numMergedOcc 0
14 mol 95 unq 2 iso 0 dist 9.65047 5.69671 8.03644 12.0576 15.6249 8.27883 9.59704 8.78079 9.85409 17.4304 numMergedOcc 0
15 mol 95 unq 2 iso 1 dist 9.65047 5.69671 8.03644 9.59704 8.78079 9.85409 12.0576 15.6249 8.27883 17.4304 numMergedOcc 0
16 mol 95 unq 1 iso 0 dist 9.65047 5.69671 8.03644 10.4457 12.4896 5.75428 9.70292 14.2178 8.57395 6.95874 numMergedOcc 0
17 mol 95 unq 1 iso 1 dist 9.65047 5.69671 8.03644 9.70292 14.2178 8.57395 10.4457 12.4896 5.75428 6.95874 numMergedOcc 0
18 mol 95 unq 2 iso 0 dist 9.65047 5.69671 8.03644 10.4457 12.4896 5.75428 9.59704 8.78079 9.85409 12.3063 numMergedOcc 0
19 mol 95 unq 2 iso 1 dist 9.65047 5.69671 8.03644 9.59704 8.78079 9.85409 10.4457 12.4896 5.75428 12.3063 numMergedOcc 0
20 mol 95 unq 2 iso 0 dist 9.65047 5.69671 8.03644 9.70292 14.2178 8.57395 9.59704 8.78079 9.85409 9.43547 numMergedOcc 0
21 mol 95 unq 2 iso 1 dist 9.65047 5.69671 8.03644 9.59704 8.78079 9.85409 9.70292 14.2178 8.57395 9.43547 numMergedOcc 0
22 mol 98 unq 0 iso 0 dist 5.9747 10.4417 6.48948 8.3505 3.9764 5.92242 7.34638 7.03983 7.02507 9.6331 numMergedOcc 0
23 mol 98 unq 0 iso 1 dist 5.9747 10.4417 6.48948 7.34638 7.03983 7.02507 8.3505 3.9764 5.92242 9.6331 numMergedOcc 0
24 mol 98 unq 1 iso 0 dist 5.9747 11.3628 6.10456 14.2657 10.4782 7.54889 8.3505 3.9764 5.2571 6.70343 numMergedOcc 0
25 mol 98 unq 1 iso 1 dist 5.9747 11.3628 6.10456 8.3505 3.9764 5.2571 14.2657 10.4782 7.54889 6.70343 numMergedOcc 0
26 mol 98 unq 2 iso 0 dist 4.50572 9.63267 6.48948 8.32269 3.9764 5.92242 6.0995 7.03983 7.02507 9.6331 numMergedOcc 0
27 mol 98 unq 2 iso 1 dist 4.50572 9.63267 6.48948 6.0995 7.03983 7.02507 8.32269 3.9764 5.92242 9.6331 numMergedOcc 0
28 mol 98 unq 3 iso 0 dist 4.50572 9.82583 6.10456 14.7607 10.4782 7.54889 8.32269 3.9764 5.2571 6.70343 numMergedOcc 0
29 mol 98 unq 3 iso 1 dist 4.50572 9.82583 6.10456 8.32269 3.9764 5.2571 14.7607 10.4782 7.54889 6.70343 numMergedOcc 0
30 mol 109 unq 0 iso 0 dist 8.73648 9.47324 7.34473 13.543 6.73011 6.29161 17.3399 13.0886 7.86666 7.49425 numMergedOcc 0
31 mol 109 unq 0 iso 1 dist 8.73648 9.47324 7.34473 17.3399 13.0886 7.86666 13.543 6.73011 6.29161 7.49425 numMergedOcc 0
32 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 15.2429 10.3209 7.69765 16.2777 15.3161 9.42082 11.044 numMergedOcc 0
33 mol 115 unq 0 iso 1 dist 9.35868 8.25001 7.30858 16.2777 15.3161 9.42082 15.2429 10.3209 7.69765 11.044 numMergedOcc 0
34 mol 115 unq 1 iso 0 dist 4.98864 10.9437 7.88312 16.4805 11.835 7.69765 9.47795 6.07067 9.42082 11.044 numMergedOcc 0
35 mol 115 unq 1 iso 1 dist 4.98864 10.9437 7.88312 9.47795 6.07067 9.42082 16.4805 11.835 7.69765 11.044 numMergedOcc 0
36 mol 115 unq 2 iso 0 dist 7.95871 12.0354 7.88312 17.9091 11.835 7.69765 9.29473 6.07067 9.42082 11.044 numMergedOcc 0
37 mol 115 unq 2 iso 1 dist 7.95871 12.0354 7.88312 9.29473 6.07067 9.42082 17.9091 11.835 7.69765 11.044 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 9.92932 6.20443 9.86662 14.5777 12.8086 9.1998 12.3555 7.41373 8.69531 5.83782 numMergedOcc 0
39 mol 134 unq 0 iso 1 dist 9.92932 6.20443 9.86662 12.3555 7.41373 8.69531 14.5777 12.8086 9.1998 5.83782 numMergedOcc 0
40 mol 134 unq 1 iso 0 dist 9.60411 6.20443 9.71307 14.5777 15.0225 9.1998 12.3555 10.8635 8.69531 5.83782 numMergedOcc 0
41 mol 134 unq 1 iso 1 dist 9.60411 6.20443 9.71307 12.3555 10.8635 8.69531 14.5777 15.0225 9.1998 5.83782 numMergedOcc 0
42 mol 134 unq 2 iso 0 dist 9.55556 6.36794 9.86662 10.6236 12.8086 9.1998 8.78303 7.41373 8.69531 5.83782 numMergedOcc 0
43 mol 134 unq 2 iso 1 dist 9.55556 6.36794 9.86662 8.78303 7.41373 8.69531 10.6236 12.8086 9.1998 5.83782 numMergedOcc 0
44 mol 152 unq 0 iso 0 dist 8.07256 10.4039 8.56324 12.0918 5.39112 6.59889 11.756 4.84714 8.9192 3.55572 numMergedOcc 0
45 mol 152 unq 0 iso 1 dist 8.07256 10.4039 8.56324 11.756 4.84714 8.9192 12.0918 5.39112 6.59889 3.55572 numMergedOcc 0
46 mol 167 unq 0 iso 0 dist 5.59806 8.66436 9.87651 10.7297 7.87971 7.20495 11.298 12.0033 9.2289 9.25262 numMergedOcc 0
47 mol 167 unq 0 iso 1 dist 5.59806 8.66436 9.87651 11.298 12.0033 9.2289 10.7297 7.87971 7.20495 9.25262 numMergedOcc 0
48 mol 167 unq 1 iso 0 dist 5.59806 8.66436 9.87651 10.7297 7.87971 7.20495 11.5835 11.6011 7.02548 6.81449 numMergedOcc 0
49 mol 167 unq 1 iso 1 dist 5.59806 8.66436 9.87651 11.5835 11.6011 7.02548 10.7297 7.87971 7.20495 6.81449 numMergedOcc 0
50 mol 167 unq 1 iso 0 dist 5.59806 8.66436 9.87651 11.298 12.0033 9.2289 11.5835 11.6011 7.02548 3.55199 numMergedOcc 0
51 mol 167 unq 1 iso 1 dist 5.59806 8.66436 9.87651 11.5835 11.6011 7.02548 11.298 12.0033 9.2289 3.55199 numMergedOcc 0
52 mol 192 unq 0 iso 0 dist 9.90531 8.43102 5.59424 17.2469 9.53265 9.78634 11.6646 6.35474 5.64942 5.9655 numMergedOcc 0
53 mol 192 unq 0 iso 1 dist 9.90531 8.43102 5.59424 11.6646 6.35474 5.64942 17.2469 9.53265 9.78634 5.9655 numMergedOcc 0
54 mol 192 unq 1 iso 0 dist 9.90531 8.43102 5.59424 17.2469 9.53265 9.78634 11.4183 5.25965 7.43054 7.70298 numMergedOcc 0
55 mol 192 unq 1 iso 1 dist 9.90531 8.43102 5.59424 11.4183 5.25965 7.43054 17.2469 9.53265 9.78634 7.70298 numMergedOcc 0
56 mol 192 unq 1 iso 0 dist 9.90531 8.43102 5.59424 11.6646 6.35474 5.64942 11.4183 5.25965 7.43054 3.60331 numMergedOcc 0
57 mol 192 unq 1 iso 1 dist 9.90531 8.43102 5.59424 11.4183 5.25965 7.43054 11.6646 6.35474 5.64942 3.60331 numMergedOcc 0
58 mol 192 unq 2 iso 0 dist 9.90531 4.96445 7.00794 11.6646 6.35474 6.97962 11.4183 5.25965 6.79229 3.60331 numMergedOcc 0
59 mol 192 unq 2 iso 1 dist 9.90531 4.96445 7.00794 11.4183 5.25965 6.79229 11.6646 6.35474 6.97962 3.60331 numMergedOcc 0
60 mol 222 unq 0 iso 0 dist 9.55777 16.4881 7.21333 15.2698 6.84862 5.56538 16.9252 9.53117 7.48954 3.58181 numMergedOcc 0
61 mol 222 unq 0 iso 1 dist 9.55777 16.4881 7.21333 16.9252 9.53117 7.48954 15.2698 6.84862 5.56538 3.58181 numMergedOcc 0
62 mol 259 unq 0 iso 0 dist 8.06771 9.79538 7.88519 14.2921 7.20604 9.63573 13.9131 8.8603 7.66153 10.3051 numMergedOcc 0
63 mol 259 unq 0 iso 1 dist 8.06771 9.79538 7.88519 13.9131 8.8603 7.66153 14.2921 7.20604 9.63573 10.3051 numMergedOcc 0
64 mol 259 unq 1 iso 0 dist 9.54857 15.3806 7.46176 13.6312 5.21606 9.63573 21.0823 11.8896 7.66153 10.3051 numMergedOcc 0
65 mol 259 unq 1 iso 1 dist 9.54857 15.3806 7.46176 21.0823 11.8896 7.66153 13.6312 5.21606 9.63573 10.3051 numMergedOcc 0
66 mol 259 unq 2 iso 0 dist 9.12507 5.59901 5.30224 10.7775 4.04513 8.03219 4.95855 7.09907 6.9899 8.0048 numMergedOcc 0
67 mol 259 unq 2 iso 1 dist 9.12507 5.59901 5.30224 4.95855 7.09907 6.9899 10.7775 4.04513 8.03219 8.0048 numMergedOcc 0
68 mol 292 unq 0 iso 0 dist 9.30668 8.04474 8.2734 5.72473 7.8414 7.20674 12.7549 14.179 8.38121 9.14614 numMergedOcc 0
69 mol 292 unq 0 iso 1 dist 9.30668 8.04474 8.2734 12.7549 14.179 8.38121 5.72473 7.8414 7.20674 9.14614 numMergedOcc 0
