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 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.36377 4.78943 5.05803 5.48395 6.31718 6.92781 9.8871 4.65873 6.57331 8.43054 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 6.36377 5.48395 6.31718 4.78943 5.05803 6.92781 9.8871 4.65873 8.43054 6.57331 numMergedOcc 0
3 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 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 9.54519 13.2653 5.54419 5.80023 7.36323 12.3067 16.6394 10.1698 5.68215 17.003 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 9.54519 5.80023 7.36323 13.2653 5.54419 12.3067 9.49646 6.28159 8.87744 10.4135 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 9.54519 5.80023 7.36323 13.2653 5.54419 12.3067 6.36381 5.50396 7.27472 9.33482 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 6.11056 10.4744 8.86116 6.9756 8.38394 6.44287 10.4056 5.11636 7.95042 10.9819 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 11.8286 6.20293 8.13395 12.266 5.41726 6.6263 6.75943 numMergedOcc 0
9 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 11.0096 8.80331 8.13395 12.266 5.41726 6.75943 6.6263 numMergedOcc 0
10 mol 45 unq 0 iso 0 dist 7.19021 9.0702 7.2846 4.18584 6.43774 5.24762 13.4674 6.42339 9.33906 11.5679 numMergedOcc 0
11 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 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 numMergedOcc 0
13 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 numMergedOcc 0
14 mol 95 unq 3 iso 0 dist 9.65047 5.69671 8.03644 5.33325 7.27724 8.41707 9.59704 8.78079 9.85409 10.3132 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 5.9747 4.75138 5.08437 10.4417 6.48948 9.51923 8.3505 3.9764 5.10496 5.92242 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 5.9747 4.75138 5.08437 11.3628 6.10456 8.40073 8.3505 3.9764 5.10496 5.2571 numMergedOcc 0
17 mol 98 unq 2 iso 0 dist 5.9747 10.4417 6.48948 4.75138 5.08437 9.51923 8.3505 3.9764 5.92242 5.10496 numMergedOcc 0
18 mol 98 unq 3 iso 0 dist 5.9747 10.4417 6.48948 4.75138 5.08437 9.51923 7.34638 7.03983 7.02507 9.89095 numMergedOcc 0
19 mol 98 unq 4 iso 0 dist 5.9747 10.4417 6.48948 11.3628 6.10456 9.42358 8.3505 3.9764 5.92242 5.2571 numMergedOcc 0
20 mol 98 unq 5 iso 0 dist 5.9747 10.4417 6.48948 11.3628 6.10456 9.42358 7.34638 7.03983 7.02507 12.7417 numMergedOcc 0
21 mol 98 unq 6 iso 0 dist 5.9747 11.3628 6.10456 4.75138 5.08437 8.40073 14.2657 10.4782 7.54889 9.81956 numMergedOcc 0
22 mol 98 unq 7 iso 0 dist 5.9747 11.3628 6.10456 4.75138 5.08437 8.40073 8.3505 3.9764 5.2571 5.10496 numMergedOcc 0
23 mol 98 unq 8 iso 0 dist 5.9747 11.3628 6.10456 10.4417 6.48948 9.42358 14.2657 10.4782 7.54889 10.8223 numMergedOcc 0
24 mol 98 unq 9 iso 0 dist 5.9747 11.3628 6.10456 10.4417 6.48948 9.42358 8.3505 3.9764 5.2571 5.92242 numMergedOcc 0
25 mol 98 unq 10 iso 0 dist 4.50572 6.88489 5.08437 9.63267 6.48948 9.51923 8.32269 3.9764 5.10496 5.92242 numMergedOcc 0
26 mol 98 unq 11 iso 0 dist 4.50572 6.88489 5.08437 9.82583 6.10456 8.40073 8.32269 3.9764 5.10496 5.2571 numMergedOcc 0
27 mol 98 unq 12 iso 0 dist 4.50572 9.63267 6.48948 6.88489 5.08437 9.51923 8.32269 3.9764 5.92242 5.10496 numMergedOcc 0
28 mol 98 unq 13 iso 0 dist 4.50572 9.63267 6.48948 6.88489 5.08437 9.51923 6.0995 7.03983 7.02507 9.89095 numMergedOcc 0
29 mol 98 unq 14 iso 0 dist 4.50572 9.63267 6.48948 9.82583 6.10456 9.42358 8.32269 3.9764 5.92242 5.2571 numMergedOcc 0
30 mol 98 unq 15 iso 0 dist 4.50572 9.63267 6.48948 9.82583 6.10456 9.42358 6.0995 7.03983 7.02507 12.7417 numMergedOcc 0
31 mol 98 unq 16 iso 0 dist 4.50572 9.82583 6.10456 6.88489 5.08437 8.40073 14.7607 10.4782 7.54889 9.81956 numMergedOcc 0
32 mol 98 unq 17 iso 0 dist 4.50572 9.82583 6.10456 6.88489 5.08437 8.40073 8.32269 3.9764 5.2571 5.10496 numMergedOcc 0
33 mol 98 unq 18 iso 0 dist 4.50572 9.82583 6.10456 9.63267 6.48948 9.42358 14.7607 10.4782 7.54889 10.8223 numMergedOcc 0
34 mol 98 unq 19 iso 0 dist 4.50572 9.82583 6.10456 9.63267 6.48948 9.42358 8.32269 3.9764 5.2571 5.92242 numMergedOcc 0
35 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 numMergedOcc 0
36 mol 109 unq 1 iso 0 dist 8.73648 9.47324 7.34473 4.93112 8.58044 7 17.3399 13.0886 7.86666 14.3511 numMergedOcc 0
37 mol 109 unq 2 iso 0 dist 8.73648 9.47324 7.34473 4.48038 9.97763 8.40993 13.543 6.73011 6.29161 13.6787 numMergedOcc 0
38 mol 109 unq 3 iso 0 dist 8.73648 9.47324 7.34473 4.48038 9.97763 8.40993 17.3399 13.0886 7.86666 15.7916 numMergedOcc 0
39 mol 115 unq 0 iso 0 dist 5.02717 5.28901 7.30858 6.75472 5.83991 10.8507 6.31773 5.03039 6.04595 10.5599 numMergedOcc 0
40 mol 115 unq 1 iso 0 dist 5.02717 5.28901 7.30858 11.0268 7.88312 11.5723 6.31773 5.03039 6.04595 11.8378 numMergedOcc 0
41 mol 115 unq 2 iso 0 dist 5.02717 6.75472 5.83991 5.28901 7.30858 10.8507 9.5681 6.01673 6.24825 13.22 numMergedOcc 0
42 mol 115 unq 3 iso 0 dist 5.02717 6.75472 5.83991 11.0268 7.88312 8.02349 9.5681 6.01673 6.24825 10.0255 numMergedOcc 0
43 mol 115 unq 4 iso 0 dist 4.98864 6.59772 6.11741 10.9437 7.88312 7.69052 9.47795 6.07067 6.39384 9.42082 numMergedOcc 0
44 mol 115 unq 5 iso 0 dist 4.98864 10.9437 7.88312 6.59772 6.11741 7.69052 16.4805 11.835 7.69765 13.4105 numMergedOcc 0
45 mol 115 unq 6 iso 0 dist 4.98864 10.9437 7.88312 6.59772 6.11741 7.69052 9.47795 6.07067 9.42082 6.39384 numMergedOcc 0
46 mol 115 unq 7 iso 0 dist 7.95871 4.86477 6.11741 12.0354 7.88312 7.69052 9.29473 6.07067 6.39384 9.42082 numMergedOcc 0
47 mol 115 unq 8 iso 0 dist 7.95871 12.0354 7.88312 4.86477 6.11741 7.69052 17.9091 11.835 7.69765 13.4105 numMergedOcc 0
48 mol 115 unq 9 iso 0 dist 7.95871 12.0354 7.88312 4.86477 6.11741 7.69052 9.29473 6.07067 9.42082 6.39384 numMergedOcc 0
49 mol 117 unq 0 iso 0 dist 6.90827 10.4485 7.90328 5.27151 7.83136 7.22206 15.0886 10.5783 6.10127 11.6387 numMergedOcc 0
50 mol 117 unq 1 iso 0 dist 6.90827 10.4485 7.90328 4.45276 7.0603 9.3584 15.0886 10.5783 6.10127 14.762 numMergedOcc 0
51 mol 117 unq 2 iso 0 dist 6.90827 5.27151 7.83136 10.4485 7.90328 7.22206 6.78655 3.55765 8.19331 10.4223 numMergedOcc 0
52 mol 117 unq 3 iso 0 dist 6.90827 5.27151 7.83136 4.45276 7.0603 7.21564 6.78655 3.55765 8.19331 8.85711 numMergedOcc 0
53 mol 117 unq 4 iso 0 dist 6.90827 4.45276 7.0603 10.4485 7.90328 9.3584 6.78655 3.55765 8.85711 10.4223 numMergedOcc 0
54 mol 117 unq 5 iso 0 dist 6.90827 4.45276 7.0603 5.27151 7.83136 7.21564 6.78655 3.55765 8.85711 8.19331 numMergedOcc 0
55 mol 117 unq 6 iso 0 dist 8.90977 13.8755 7.90328 10.6616 7.83136 7.22206 18.6425 10.5783 6.10127 11.6387 numMergedOcc 0
56 mol 117 unq 7 iso 0 dist 8.90977 13.8755 7.90328 4.98254 7.0603 9.3584 18.6425 10.5783 6.10127 14.762 numMergedOcc 0
57 mol 117 unq 8 iso 0 dist 8.90977 10.6616 7.83136 13.8755 7.90328 7.22206 9.42037 3.55765 8.19331 10.4223 numMergedOcc 0
58 mol 117 unq 9 iso 0 dist 8.90977 10.6616 7.83136 4.98254 7.0603 7.21564 9.42037 3.55765 8.19331 8.85711 numMergedOcc 0
59 mol 117 unq 10 iso 0 dist 8.90977 4.98254 7.0603 13.8755 7.90328 9.3584 9.42037 3.55765 8.85711 10.4223 numMergedOcc 0
60 mol 117 unq 11 iso 0 dist 8.90977 4.98254 7.0603 10.6616 7.83136 7.21564 9.42037 3.55765 8.85711 8.19331 numMergedOcc 0
61 mol 129 unq 0 iso 0 dist 6.38163 10.0961 5.83384 8.61575 9.61051 9.05135 14.5306 9.00231 5.58833 14.5521 numMergedOcc 0
62 mol 131 unq 0 iso 0 dist 6.31125 5.6098 8.40312 4.29914 7.12972 5.55373 9.10434 3.98662 9.27976 10.0551 numMergedOcc 0
63 mol 131 unq 1 iso 0 dist 6.31125 5.6098 8.40312 5.59449 6.85062 10.7062 9.10434 3.98662 9.27976 10.7579 numMergedOcc 0
64 mol 133 unq 0 iso 0 dist 5.86531 9.73435 8.00618 6.26797 7.11802 8.18495 13.1452 15.0115 8.77023 12.5855 numMergedOcc 0
65 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 6.20443 9.86662 6.81259 12.3555 7.41373 9.33094 8.69531 numMergedOcc 0
66 mol 134 unq 1 iso 0 dist 9.92932 6.20443 9.86662 10.5108 8.94367 6.81259 14.5777 12.8086 9.1998 11.0808 numMergedOcc 0
67 mol 134 unq 2 iso 0 dist 9.92932 6.20443 9.86662 10.5108 8.94367 6.81259 12.3555 7.41373 8.69531 9.33094 numMergedOcc 0
68 mol 134 unq 3 iso 0 dist 9.60411 10.5108 6.37586 6.20443 9.71307 6.81259 12.3555 10.8635 9.33094 8.69531 numMergedOcc 0
69 mol 134 unq 4 iso 0 dist 9.60411 6.20443 9.71307 10.5108 6.37586 6.81259 14.5777 15.0225 9.1998 11.0808 numMergedOcc 0
70 mol 134 unq 5 iso 0 dist 9.60411 6.20443 9.71307 10.5108 6.37586 6.81259 12.3555 10.8635 8.69531 9.33094 numMergedOcc 0
71 mol 134 unq 6 iso 0 dist 9.55556 11.9294 8.94367 6.36794 9.86662 6.81259 8.78303 7.41373 9.33094 8.69531 numMergedOcc 0
72 mol 134 unq 7 iso 0 dist 9.55556 6.36794 9.86662 11.9294 8.94367 6.81259 10.6236 12.8086 9.1998 11.0808 numMergedOcc 0
73 mol 134 unq 8 iso 0 dist 9.55556 6.36794 9.86662 11.9294 8.94367 6.81259 8.78303 7.41373 8.69531 9.33094 numMergedOcc 0
74 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 numMergedOcc 0
75 mol 152 unq 1 iso 0 dist 8.07256 10.4039 8.56324 11.1874 6.70283 7.65448 11.756 4.84714 8.9192 9.27706 numMergedOcc 0
76 mol 152 unq 2 iso 0 dist 8.07256 10.4039 8.56324 8.36099 7.16148 10.6875 12.0918 5.39112 6.59889 10.4895 numMergedOcc 0
77 mol 152 unq 3 iso 0 dist 8.07256 10.4039 8.56324 8.36099 7.16148 10.6875 11.756 4.84714 8.9192 11.6735 numMergedOcc 0
78 mol 152 unq 4 iso 0 dist 8.07256 11.1874 6.70283 10.4039 8.56324 7.65448 12.0918 5.39112 6.70693 6.59889 numMergedOcc 0
79 mol 152 unq 5 iso 0 dist 8.07256 11.1874 6.70283 8.36099 7.16148 5.49936 12.0918 5.39112 6.70693 10.4895 numMergedOcc 0
80 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 numMergedOcc 0
81 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 numMergedOcc 0
82 mol 192 unq 2 iso 0 dist 9.90531 8.43102 5.59424 4.96445 7.00794 5.76246 11.4183 5.25965 7.43054 6.79229 numMergedOcc 0
83 mol 192 unq 3 iso 0 dist 9.90531 4.96445 7.00794 8.43102 5.59424 5.76246 11.6646 6.35474 6.97962 5.64942 numMergedOcc 0
84 mol 192 unq 4 iso 0 dist 9.90531 4.96445 7.00794 8.43102 5.59424 5.76246 11.4183 5.25965 6.79229 7.43054 numMergedOcc 0
85 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 numMergedOcc 0
86 mol 222 unq 1 iso 0 dist 9.55777 16.4881 7.21333 6.54251 8.01589 13.3522 16.9252 9.53117 7.48954 16.3082 numMergedOcc 0
87 mol 222 unq 2 iso 0 dist 9.55777 16.4881 7.21333 15.3892 7.7699 5.24516 15.2698 6.84862 5.56538 10.0233 numMergedOcc 0
88 mol 222 unq 3 iso 0 dist 9.55777 16.4881 7.21333 15.3892 7.7699 5.24516 16.9252 9.53117 7.48954 11.839 numMergedOcc 0
89 mol 224 unq 0 iso 0 dist 8.39002 5.72088 6.57273 9.98893 8.95269 4.70378 6.32334 7.05804 8.79428 13.2325 numMergedOcc 0
90 mol 224 unq 1 iso 0 dist 8.39002 5.72088 6.57273 6.51315 5.78342 8.49799 6.32334 7.05804 8.79428 6.8692 numMergedOcc 0
91 mol 224 unq 2 iso 0 dist 8.39002 6.51315 5.78342 9.98893 8.95269 11.5372 6.32334 7.05804 6.8692 13.2325 numMergedOcc 0
92 mol 224 unq 3 iso 0 dist 8.39002 6.51315 5.78342 5.72088 6.57273 8.49799 6.32334 7.05804 6.8692 8.79428 numMergedOcc 0
93 mol 224 unq 4 iso 0 dist 8.46129 6.31508 6.65832 5.72088 6.60589 6.77699 6.32334 5.76843 6.99769 8.79428 numMergedOcc 0
94 mol 224 unq 5 iso 0 dist 8.46129 6.31508 6.65832 6.51315 9.16166 11.328 6.32334 5.76843 6.99769 6.8692 numMergedOcc 0
95 mol 224 unq 6 iso 0 dist 8.46129 5.72088 6.60589 6.31508 6.65832 6.77699 6.32334 5.76843 8.79428 6.99769 numMergedOcc 0
96 mol 224 unq 7 iso 0 dist 8.46129 5.72088 6.60589 6.51315 9.16166 8.49799 6.32334 5.76843 8.79428 6.8692 numMergedOcc 0
97 mol 224 unq 8 iso 0 dist 8.46129 6.51315 9.16166 6.31508 6.65832 11.328 6.32334 5.76843 6.8692 6.99769 numMergedOcc 0
98 mol 224 unq 9 iso 0 dist 8.46129 6.51315 9.16166 5.72088 6.60589 8.49799 6.32334 5.76843 6.8692 8.79428 numMergedOcc 0
99 mol 236 unq 0 iso 0 dist 9.89665 11.247 7.68742 4.38595 6.84306 7.28249 13.747 4.89609 9.3206 10.1317 numMergedOcc 0
100 mol 236 unq 1 iso 0 dist 9.05929 4.32403 8.04248 4.38595 8.35971 7.43758 10.5185 4.66414 8.23087 11.5798 numMergedOcc 0
101 mol 236 unq 2 iso 0 dist 5.66569 4.15973 6.27581 11.2013 9.99038 7.28249 11.2893 10.5774 9.3206 10.1317 numMergedOcc 0
102 mol 236 unq 3 iso 0 dist 6.11137 9.01197 6.27581 15.1664 9.99038 7.28249 14.0625 10.5774 9.3206 10.1317 numMergedOcc 0
103 mol 259 unq 0 iso 0 dist 5.90645 10.4985 8.13497 4.62072 8.53687 10.582 16.793 12.2293 9.46361 18.7675 numMergedOcc 0
104 mol 259 unq 1 iso 0 dist 8.06771 6.64729 8.13497 9.79538 7.88519 4.69778 13.9131 8.8603 9.07743 7.66153 numMergedOcc 0
105 mol 259 unq 2 iso 0 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 14.2921 7.20604 9.63573 12.8229 numMergedOcc 0
106 mol 259 unq 3 iso 0 dist 8.06771 9.79538 7.88519 6.64729 8.13497 4.69778 13.9131 8.8603 7.66153 9.07743 numMergedOcc 0
