0 mol 16 unq 0 iso 0 dist 6.36377 4.78943 5.05803 5.48395 6.31718 6.92781 9.30877 5.01101 6.42835 11.0298 9.8871 4.65873 6.57331 8.43054 6.09368 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 6.36377 4.78943 5.05803 5.48395 6.31718 6.92781 9.8871 4.65873 6.57331 8.43054 9.30877 5.01101 6.42835 11.0298 6.09368 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 5.80023 7.36323 12.3067 14.1706 4.82629 6.6219 11.0181 16.6394 10.1698 5.68215 17.003 10.512 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 9.54519 13.2653 5.54419 5.80023 7.36323 12.3067 16.6394 10.1698 5.68215 17.003 14.1706 4.82629 6.6219 11.0181 10.512 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 9.54519 5.80023 7.36323 13.2653 5.54419 12.3067 9.49646 6.28159 8.87744 10.4135 6.36381 5.50396 7.27472 9.33482 3.73215 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 9.54519 5.80023 7.36323 13.2653 5.54419 12.3067 6.36381 5.50396 7.27472 9.33482 9.49646 6.28159 8.87744 10.4135 3.73215 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 12.0576 15.6249 8.27883 15.6447 10.4457 12.4896 5.75428 14.0772 6.27231 numMergedOcc 0
7 mol 95 unq 0 iso 1 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 10.4457 12.4896 5.75428 14.0772 12.0576 15.6249 8.27883 15.6447 6.27231 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 12.0576 15.6249 8.27883 15.6447 9.70292 14.2178 8.57395 14.1515 11.734 numMergedOcc 0
9 mol 95 unq 1 iso 1 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 9.70292 14.2178 8.57395 14.1515 12.0576 15.6249 8.27883 15.6447 11.734 numMergedOcc 0
10 mol 95 unq 2 iso 0 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 12.0576 15.6249 8.27883 15.6447 9.59704 8.78079 9.85409 10.3132 17.4304 numMergedOcc 0
11 mol 95 unq 2 iso 1 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 9.59704 8.78079 9.85409 10.3132 12.0576 15.6249 8.27883 15.6447 17.4304 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 10.4457 12.4896 5.75428 14.0772 9.70292 14.2178 8.57395 14.1515 6.95874 numMergedOcc 0
13 mol 95 unq 1 iso 1 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 9.70292 14.2178 8.57395 14.1515 10.4457 12.4896 5.75428 14.0772 6.95874 numMergedOcc 0
14 mol 95 unq 2 iso 0 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 10.4457 12.4896 5.75428 14.0772 9.59704 8.78079 9.85409 10.3132 12.3063 numMergedOcc 0
15 mol 95 unq 2 iso 1 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 9.59704 8.78079 9.85409 10.3132 10.4457 12.4896 5.75428 14.0772 12.3063 numMergedOcc 0
16 mol 95 unq 2 iso 0 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 9.70292 14.2178 8.57395 14.1515 9.59704 8.78079 9.85409 10.3132 9.43547 numMergedOcc 0
17 mol 95 unq 2 iso 1 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 9.59704 8.78079 9.85409 10.3132 9.70292 14.2178 8.57395 14.1515 9.43547 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 5.9747 10.4417 6.48948 4.75138 5.08437 9.51923 8.3505 3.9764 5.92242 5.10496 7.34638 7.03983 7.02507 9.89095 9.6331 numMergedOcc 0
19 mol 98 unq 0 iso 1 dist 5.9747 10.4417 6.48948 4.75138 5.08437 9.51923 7.34638 7.03983 7.02507 9.89095 8.3505 3.9764 5.92242 5.10496 9.6331 numMergedOcc 0
20 mol 98 unq 1 iso 0 dist 5.9747 10.4417 6.48948 11.3628 6.10456 9.42358 8.3505 3.9764 5.92242 5.2571 7.34638 7.03983 7.02507 12.7417 9.6331 numMergedOcc 0
21 mol 98 unq 1 iso 1 dist 5.9747 10.4417 6.48948 11.3628 6.10456 9.42358 7.34638 7.03983 7.02507 12.7417 8.3505 3.9764 5.92242 5.2571 9.6331 numMergedOcc 0
22 mol 98 unq 2 iso 0 dist 5.9747 11.3628 6.10456 4.75138 5.08437 8.40073 14.2657 10.4782 7.54889 9.81956 8.3505 3.9764 5.2571 5.10496 6.70343 numMergedOcc 0
23 mol 98 unq 2 iso 1 dist 5.9747 11.3628 6.10456 4.75138 5.08437 8.40073 8.3505 3.9764 5.2571 5.10496 14.2657 10.4782 7.54889 9.81956 6.70343 numMergedOcc 0
24 mol 98 unq 3 iso 0 dist 5.9747 11.3628 6.10456 10.4417 6.48948 9.42358 14.2657 10.4782 7.54889 10.8223 8.3505 3.9764 5.2571 5.92242 6.70343 numMergedOcc 0
25 mol 98 unq 3 iso 1 dist 5.9747 11.3628 6.10456 10.4417 6.48948 9.42358 8.3505 3.9764 5.2571 5.92242 14.2657 10.4782 7.54889 10.8223 6.70343 numMergedOcc 0
26 mol 98 unq 4 iso 0 dist 4.50572 9.63267 6.48948 6.88489 5.08437 9.51923 8.32269 3.9764 5.92242 5.10496 6.0995 7.03983 7.02507 9.89095 9.6331 numMergedOcc 0
27 mol 98 unq 4 iso 1 dist 4.50572 9.63267 6.48948 6.88489 5.08437 9.51923 6.0995 7.03983 7.02507 9.89095 8.32269 3.9764 5.92242 5.10496 9.6331 numMergedOcc 0
28 mol 98 unq 5 iso 0 dist 4.50572 9.63267 6.48948 9.82583 6.10456 9.42358 8.32269 3.9764 5.92242 5.2571 6.0995 7.03983 7.02507 12.7417 9.6331 numMergedOcc 0
29 mol 98 unq 5 iso 1 dist 4.50572 9.63267 6.48948 9.82583 6.10456 9.42358 6.0995 7.03983 7.02507 12.7417 8.32269 3.9764 5.92242 5.2571 9.6331 numMergedOcc 0
30 mol 98 unq 6 iso 0 dist 4.50572 9.82583 6.10456 6.88489 5.08437 8.40073 14.7607 10.4782 7.54889 9.81956 8.32269 3.9764 5.2571 5.10496 6.70343 numMergedOcc 0
31 mol 98 unq 6 iso 1 dist 4.50572 9.82583 6.10456 6.88489 5.08437 8.40073 8.32269 3.9764 5.2571 5.10496 14.7607 10.4782 7.54889 9.81956 6.70343 numMergedOcc 0
32 mol 98 unq 7 iso 0 dist 4.50572 9.82583 6.10456 9.63267 6.48948 9.42358 14.7607 10.4782 7.54889 10.8223 8.32269 3.9764 5.2571 5.92242 6.70343 numMergedOcc 0
33 mol 98 unq 7 iso 1 dist 4.50572 9.82583 6.10456 9.63267 6.48948 9.42358 8.32269 3.9764 5.2571 5.92242 14.7607 10.4782 7.54889 10.8223 6.70343 numMergedOcc 0
34 mol 109 unq 0 iso 0 dist 8.73648 9.47324 7.34473 4.93112 8.58044 7 13.543 6.73011 6.29161 11.0751 17.3399 13.0886 7.86666 14.3511 7.49425 numMergedOcc 0
35 mol 109 unq 0 iso 1 dist 8.73648 9.47324 7.34473 4.93112 8.58044 7 17.3399 13.0886 7.86666 14.3511 13.543 6.73011 6.29161 11.0751 7.49425 numMergedOcc 0
36 mol 109 unq 1 iso 0 dist 8.73648 9.47324 7.34473 4.48038 9.97763 8.40993 13.543 6.73011 6.29161 13.6787 17.3399 13.0886 7.86666 15.7916 7.49425 numMergedOcc 0
37 mol 109 unq 1 iso 1 dist 8.73648 9.47324 7.34473 4.48038 9.97763 8.40993 17.3399 13.0886 7.86666 15.7916 13.543 6.73011 6.29161 13.6787 7.49425 numMergedOcc 0
38 mol 115 unq 0 iso 0 dist 4.98864 10.9437 7.88312 6.59772 6.11741 7.69052 16.4805 11.835 7.69765 13.4105 9.47795 6.07067 9.42082 6.39384 11.044 numMergedOcc 0
39 mol 115 unq 0 iso 1 dist 4.98864 10.9437 7.88312 6.59772 6.11741 7.69052 9.47795 6.07067 9.42082 6.39384 16.4805 11.835 7.69765 13.4105 11.044 numMergedOcc 0
40 mol 115 unq 1 iso 0 dist 7.95871 12.0354 7.88312 4.86477 6.11741 7.69052 17.9091 11.835 7.69765 13.4105 9.29473 6.07067 9.42082 6.39384 11.044 numMergedOcc 0
41 mol 115 unq 1 iso 1 dist 7.95871 12.0354 7.88312 4.86477 6.11741 7.69052 9.29473 6.07067 9.42082 6.39384 17.9091 11.835 7.69765 13.4105 11.044 numMergedOcc 0
42 mol 134 unq 0 iso 0 dist 9.92932 6.20443 9.86662 10.5108 8.94367 6.81259 14.5777 12.8086 9.1998 11.0808 12.3555 7.41373 8.69531 9.33094 5.83782 numMergedOcc 0
43 mol 134 unq 0 iso 1 dist 9.92932 6.20443 9.86662 10.5108 8.94367 6.81259 12.3555 7.41373 8.69531 9.33094 14.5777 12.8086 9.1998 11.0808 5.83782 numMergedOcc 0
44 mol 134 unq 1 iso 0 dist 9.60411 6.20443 9.71307 10.5108 6.37586 6.81259 14.5777 15.0225 9.1998 11.0808 12.3555 10.8635 8.69531 9.33094 5.83782 numMergedOcc 0
45 mol 134 unq 1 iso 1 dist 9.60411 6.20443 9.71307 10.5108 6.37586 6.81259 12.3555 10.8635 8.69531 9.33094 14.5777 15.0225 9.1998 11.0808 5.83782 numMergedOcc 0
46 mol 134 unq 2 iso 0 dist 9.55556 6.36794 9.86662 11.9294 8.94367 6.81259 10.6236 12.8086 9.1998 11.0808 8.78303 7.41373 8.69531 9.33094 5.83782 numMergedOcc 0
47 mol 134 unq 2 iso 1 dist 9.55556 6.36794 9.86662 11.9294 8.94367 6.81259 8.78303 7.41373 8.69531 9.33094 10.6236 12.8086 9.1998 11.0808 5.83782 numMergedOcc 0
48 mol 152 unq 0 iso 0 dist 8.07256 10.4039 8.56324 11.1874 6.70283 7.65448 12.0918 5.39112 6.59889 6.70693 11.756 4.84714 8.9192 9.27706 3.55572 numMergedOcc 0
49 mol 152 unq 0 iso 1 dist 8.07256 10.4039 8.56324 11.1874 6.70283 7.65448 11.756 4.84714 8.9192 9.27706 12.0918 5.39112 6.59889 6.70693 3.55572 numMergedOcc 0
50 mol 152 unq 1 iso 0 dist 8.07256 10.4039 8.56324 8.36099 7.16148 10.6875 12.0918 5.39112 6.59889 10.4895 11.756 4.84714 8.9192 11.6735 3.55572 numMergedOcc 0
51 mol 152 unq 1 iso 1 dist 8.07256 10.4039 8.56324 8.36099 7.16148 10.6875 11.756 4.84714 8.9192 11.6735 12.0918 5.39112 6.59889 10.4895 3.55572 numMergedOcc 0
52 mol 192 unq 0 iso 0 dist 9.90531 8.43102 5.59424 4.96445 7.00794 5.76246 17.2469 9.53265 9.78634 12.8149 11.6646 6.35474 5.64942 6.97962 5.9655 numMergedOcc 0
53 mol 192 unq 0 iso 1 dist 9.90531 8.43102 5.59424 4.96445 7.00794 5.76246 11.6646 6.35474 5.64942 6.97962 17.2469 9.53265 9.78634 12.8149 5.9655 numMergedOcc 0
54 mol 192 unq 1 iso 0 dist 9.90531 8.43102 5.59424 4.96445 7.00794 5.76246 17.2469 9.53265 9.78634 12.8149 11.4183 5.25965 7.43054 6.79229 7.70298 numMergedOcc 0
55 mol 192 unq 1 iso 1 dist 9.90531 8.43102 5.59424 4.96445 7.00794 5.76246 11.4183 5.25965 7.43054 6.79229 17.2469 9.53265 9.78634 12.8149 7.70298 numMergedOcc 0
56 mol 192 unq 1 iso 0 dist 9.90531 8.43102 5.59424 4.96445 7.00794 5.76246 11.6646 6.35474 5.64942 6.97962 11.4183 5.25965 7.43054 6.79229 3.60331 numMergedOcc 0
57 mol 192 unq 1 iso 1 dist 9.90531 8.43102 5.59424 4.96445 7.00794 5.76246 11.4183 5.25965 7.43054 6.79229 11.6646 6.35474 5.64942 6.97962 3.60331 numMergedOcc 0
58 mol 192 unq 2 iso 0 dist 9.90531 4.96445 7.00794 8.43102 5.59424 5.76246 11.6646 6.35474 6.97962 5.64942 11.4183 5.25965 6.79229 7.43054 3.60331 numMergedOcc 0
59 mol 192 unq 2 iso 1 dist 9.90531 4.96445 7.00794 8.43102 5.59424 5.76246 11.4183 5.25965 6.79229 7.43054 11.6646 6.35474 6.97962 5.64942 3.60331 numMergedOcc 0
60 mol 222 unq 0 iso 0 dist 9.55777 16.4881 7.21333 6.54251 8.01589 13.3522 15.2698 6.84862 5.56538 14.4477 16.9252 9.53117 7.48954 16.3082 3.58181 numMergedOcc 0
61 mol 222 unq 0 iso 1 dist 9.55777 16.4881 7.21333 6.54251 8.01589 13.3522 16.9252 9.53117 7.48954 16.3082 15.2698 6.84862 5.56538 14.4477 3.58181 numMergedOcc 0
62 mol 222 unq 1 iso 0 dist 9.55777 16.4881 7.21333 15.3892 7.7699 5.24516 15.2698 6.84862 5.56538 10.0233 16.9252 9.53117 7.48954 11.839 3.58181 numMergedOcc 0
63 mol 222 unq 1 iso 1 dist 9.55777 16.4881 7.21333 15.3892 7.7699 5.24516 16.9252 9.53117 7.48954 11.839 15.2698 6.84862 5.56538 10.0233 3.58181 numMergedOcc 0
64 mol 259 unq 0 iso 0 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 14.2921 7.20604 9.63573 12.8229 13.9131 8.8603 7.66153 9.07743 10.3051 numMergedOcc 0
65 mol 259 unq 0 iso 1 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 13.9131 8.8603 7.66153 9.07743 14.2921 7.20604 9.63573 12.8229 10.3051 numMergedOcc 0
