0 mol 7 unq 0 iso 0 dist 7.10621 6.1206 7.12508 7.67927 11.143 4.80709 13.2247 10.5461 9.87885 14.1836 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 5.05803 6.42835 5.01101 6.57331 4.65873 6.09368 10.2656 11.6856 7.65889 13.1847 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 5.05803 6.57331 4.65873 6.42835 5.01101 6.09368 6.92781 6.31718 8.43054 11.0298 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 5.04899 9.49421 13.6145 7.52933 5.03027 16.0628 10.9391 11.9561 9.48085 16.4232 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 5.04899 9.49421 13.6145 6.55597 4.69295 12.1732 10.9391 11.9561 9.48085 11.037 numMergedOcc 0
5 mol 25 unq 2 iso 0 dist 5.04899 9.49421 13.6145 9.71956 12.2542 8.99147 10.9391 11.9561 9.48085 14.581 numMergedOcc 0
6 mol 25 unq 3 iso 0 dist 5.04899 9.49421 13.6145 7.07751 8.79309 9.54872 10.9391 11.9561 9.48085 13.0315 numMergedOcc 0
7 mol 25 unq 4 iso 0 dist 5.04899 9.49421 13.6145 8.23761 8.17061 14.6175 10.9391 11.9561 9.48085 17.2964 numMergedOcc 0
8 mol 25 unq 5 iso 0 dist 7.57578 9.48085 5.18617 4.79873 10.2864 12.7147 10.9391 12.7009 9.49421 12.3944 numMergedOcc 0
9 mol 25 unq 6 iso 0 dist 7.17969 9.48085 5.68041 4.79873 11.4148 12.7147 10.9391 12.8117 9.49421 12.3944 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 6.35756 8.96727 9.87158 8.01308 5.86526 6.20884 4.81926 6.62496 9.22598 9.55996 numMergedOcc 0
11 mol 60 unq 0 iso 0 dist 8.90863 7.48086 7.80499 9.95132 8.27828 8.42811 6.54743 6.65595 7.57295 12.544 numMergedOcc 0
12 mol 60 unq 1 iso 0 dist 8.90863 7.48086 7.80499 9.95132 8.27828 8.42811 5.00018 11.1899 8.4312 14.0656 numMergedOcc 0
13 mol 72 unq 0 iso 0 dist 9.78528 6.21799 7.47371 5.03251 9.67587 3.43675 7.04035 10.8086 9.74228 10.7906 numMergedOcc 0
14 mol 72 unq 1 iso 0 dist 9.78528 6.21799 7.47371 5.03251 9.67587 3.43675 8.24309 9.96708 7.12321 9.35457 numMergedOcc 0
15 mol 72 unq 2 iso 0 dist 9.78528 6.21799 7.47371 7.66093 7.07356 5.75711 7.04035 10.8086 9.74228 12.952 numMergedOcc 0
16 mol 72 unq 3 iso 0 dist 9.78528 6.21799 7.47371 7.66093 7.07356 5.75711 8.24309 9.96708 7.12321 12.1131 numMergedOcc 0
17 mol 72 unq 4 iso 0 dist 9.78528 5.03251 9.67587 6.21799 7.47371 3.43675 5.8486 15.1902 9.56773 10.9808 numMergedOcc 0
18 mol 72 unq 5 iso 0 dist 9.78528 5.03251 9.67587 7.66093 7.07356 5.26077 5.8486 15.1902 9.56773 13.336 numMergedOcc 0
19 mol 73 unq 0 iso 0 dist 6.19304 7.4369 5.70116 8.68662 6.20232 3.30399 5.4148 9.96396 9.73086 12.2276 numMergedOcc 0
20 mol 73 unq 1 iso 0 dist 8.70481 5.5087 11.2069 6.08682 10.6713 5.30471 8.07446 16.0098 5.61588 7.83244 numMergedOcc 0
21 mol 73 unq 2 iso 0 dist 8.70481 6.08682 10.6713 5.5087 11.2069 5.30471 8.07446 16.0098 7.83244 5.61588 numMergedOcc 0
22 mol 95 unq 0 iso 0 dist 9.03572 8.27883 4.99174 5.75428 4.46005 6.27231 6.59884 11.5113 7.7152 10.0848 numMergedOcc 0
23 mol 95 unq 1 iso 0 dist 9.03572 8.27883 4.99174 8.57395 8.28518 11.734 6.59884 11.5113 7.7152 14.2618 numMergedOcc 0
24 mol 95 unq 2 iso 0 dist 9.03572 8.27883 4.99174 9.85409 15.917 17.4304 6.59884 11.5113 7.7152 15.9129 numMergedOcc 0
25 mol 95 unq 3 iso 0 dist 8.83255 8.27883 8.67311 5.75428 3.94293 6.27231 6.59884 12.9844 7.7152 10.0848 numMergedOcc 0
26 mol 95 unq 4 iso 0 dist 8.83255 8.27883 8.67311 8.57395 9.22202 11.734 6.59884 12.9844 7.7152 14.2618 numMergedOcc 0
27 mol 95 unq 5 iso 0 dist 8.83255 8.27883 8.67311 9.85409 13.7484 17.4304 6.59884 12.9844 7.7152 15.9129 numMergedOcc 0
28 mol 95 unq 6 iso 0 dist 8.03644 8.27883 15.6249 5.75428 12.4896 6.27231 6.59884 11.3446 7.7152 10.0848 numMergedOcc 0
29 mol 95 unq 7 iso 0 dist 8.03644 8.27883 15.6249 8.57395 14.2178 11.734 6.59884 11.3446 7.7152 14.2618 numMergedOcc 0
30 mol 95 unq 8 iso 0 dist 8.03644 8.27883 15.6249 9.85409 8.78079 17.4304 6.59884 11.3446 7.7152 15.9129 numMergedOcc 0
31 mol 98 unq 0 iso 0 dist 6.48948 5.92242 3.9764 7.02507 7.03983 9.6331 9.51923 5.08437 5.10496 9.89095 numMergedOcc 0
32 mol 98 unq 1 iso 0 dist 6.48948 5.92242 3.9764 7.02507 7.03983 9.6331 9.42358 6.10456 5.2571 12.7417 numMergedOcc 0
33 mol 98 unq 2 iso 0 dist 6.48948 5.92242 3.9764 7.02507 7.03983 9.6331 13.9786 10.1136 8.7497 17.1287 numMergedOcc 0
34 mol 98 unq 3 iso 0 dist 6.10456 7.54889 10.4782 5.2571 3.9764 6.70343 13.659 17.4071 9.64383 14.0897 numMergedOcc 0
35 mol 98 unq 4 iso 0 dist 6.10456 7.54889 10.4782 5.2571 3.9764 6.70343 5.02887 10.1136 7.78931 8.7497 numMergedOcc 0
36 mol 98 unq 5 iso 0 dist 6.10456 5.2571 3.9764 7.54889 10.4782 6.70343 8.40073 5.08437 5.10496 9.81956 numMergedOcc 0
37 mol 98 unq 6 iso 0 dist 6.10456 5.2571 3.9764 7.54889 10.4782 6.70343 9.42358 6.48948 5.92242 10.8223 numMergedOcc 0
38 mol 98 unq 7 iso 0 dist 6.10456 5.2571 3.9764 7.54889 10.4782 6.70343 5.02887 10.1136 8.7497 7.78931 numMergedOcc 0
39 mol 100 unq 0 iso 0 dist 8.87449 9.21662 9.39125 9.90751 9.72773 6.25463 10.8375 16.1937 8.91882 13.2137 numMergedOcc 0
40 mol 109 unq 0 iso 0 dist 7.34473 7.86666 13.0886 6.29161 6.73011 7.49425 17.2949 21.5605 9.77497 15.7676 numMergedOcc 0
41 mol 112 unq 0 iso 0 dist 7.71338 8.47988 6.95317 8.0427 7.57713 6.38762 4.8896 11.5121 9.02706 9.39168 numMergedOcc 0
42 mol 112 unq 1 iso 0 dist 7.71338 8.0427 7.57713 8.47988 6.95317 6.38762 4.8896 11.5121 9.39168 9.02706 numMergedOcc 0
43 mol 115 unq 0 iso 0 dist 7.30858 9.42082 15.3161 7.69765 10.3209 11.044 7.69052 13.8473 6.39384 13.4105 numMergedOcc 0
44 mol 115 unq 1 iso 0 dist 5.83991 9.42082 6.63111 7.69765 4.48636 11.044 7.69052 9.33865 6.39384 13.4105 numMergedOcc 0
45 mol 115 unq 2 iso 0 dist 7.88312 9.42082 6.07067 7.69765 11.835 11.044 7.69052 6.11741 6.39384 13.4105 numMergedOcc 0
46 mol 134 unq 0 iso 0 dist 6.37586 7.93372 8.06642 9.33924 6.95573 11.4107 10.7144 11.7385 9.66543 18.0094 numMergedOcc 0
47 mol 134 unq 1 iso 0 dist 6.37586 7.93372 8.06642 9.33924 6.95573 11.4107 5.49782 8.94367 7.21868 13.9752 numMergedOcc 0
48 mol 134 unq 2 iso 0 dist 9.86662 9.1998 12.8086 8.69531 7.41373 5.83782 11.6064 15.281 6.42772 9.70973 numMergedOcc 0
49 mol 134 unq 3 iso 0 dist 9.86662 9.1998 12.8086 8.69531 7.41373 5.83782 7.09823 14.0375 8.70621 10.3432 numMergedOcc 0
50 mol 134 unq 4 iso 0 dist 9.86662 8.69531 7.41373 9.1998 12.8086 5.83782 6.81259 8.94367 9.33094 11.0808 numMergedOcc 0
51 mol 134 unq 5 iso 0 dist 9.71307 7.93372 4.00092 9.33924 10.2026 11.4107 10.7144 11.3835 9.66543 18.0094 numMergedOcc 0
52 mol 134 unq 6 iso 0 dist 9.71307 7.93372 4.00092 9.33924 10.2026 11.4107 5.49782 9.86662 7.21868 13.9752 numMergedOcc 0
53 mol 134 unq 7 iso 0 dist 9.71307 9.1998 15.0225 8.69531 10.8635 5.83782 11.6064 15.6507 6.42772 9.70973 numMergedOcc 0
54 mol 134 unq 8 iso 0 dist 9.71307 9.1998 15.0225 8.69531 10.8635 5.83782 7.09823 15.9508 8.70621 10.3432 numMergedOcc 0
55 mol 134 unq 9 iso 0 dist 9.71307 8.69531 10.8635 9.1998 15.0225 5.83782 6.81259 6.37586 9.33094 11.0808 numMergedOcc 0
56 mol 142 unq 0 iso 0 dist 9.2313 7.81207 4.67662 7.18002 13.5913 13.4681 5.32922 5.31024 6.14151 10.7696 numMergedOcc 0
57 mol 142 unq 1 iso 0 dist 7.73169 7.81207 5.81599 7.18002 9.99555 13.4681 5.32922 7.26382 6.14151 10.7696 numMergedOcc 0
58 mol 142 unq 2 iso 0 dist 8.96657 7.81207 11.1 7.18002 6.52253 13.4681 5.32922 11.0824 6.14151 10.7696 numMergedOcc 0
59 mol 152 unq 0 iso 0 dist 8.56324 6.59889 5.39112 8.9192 4.84714 3.55572 7.65448 6.70283 6.70693 9.27706 numMergedOcc 0
60 mol 167 unq 0 iso 0 dist 9.87651 9.2289 12.0033 7.20495 7.87971 9.25262 4.70068 12.4733 7.68266 10.5499 numMergedOcc 0
61 mol 167 unq 1 iso 0 dist 9.87651 9.2289 12.0033 7.20495 7.87971 9.25262 10.3445 17.5366 7.6616 14.1851 numMergedOcc 0
62 mol 167 unq 2 iso 0 dist 9.87651 9.2289 12.0033 7.02548 11.6011 3.55199 4.70068 12.4733 7.68266 6.84752 numMergedOcc 0
63 mol 167 unq 3 iso 0 dist 9.87651 9.2289 12.0033 7.02548 11.6011 3.55199 10.3445 17.5366 7.6616 7.86563 numMergedOcc 0
64 mol 167 unq 4 iso 0 dist 9.87651 7.02548 11.6011 7.20495 7.87971 6.81449 4.70068 12.4733 6.84752 10.5499 numMergedOcc 0
65 mol 167 unq 5 iso 0 dist 9.87651 7.02548 11.6011 7.20495 7.87971 6.81449 10.3445 17.5366 7.86563 14.1851 numMergedOcc 0
66 mol 167 unq 6 iso 0 dist 9.87651 7.02548 11.6011 9.2289 12.0033 3.55199 4.70068 12.4733 6.84752 7.68266 numMergedOcc 0
67 mol 167 unq 7 iso 0 dist 9.87651 7.02548 11.6011 9.2289 12.0033 3.55199 10.3445 17.5366 7.86563 7.6616 numMergedOcc 0
68 mol 181 unq 0 iso 0 dist 7.81386 9.01624 5.71898 6.64173 6.8757 11.196 11.5866 9.81747 5.05973 15.3823 numMergedOcc 0
69 mol 181 unq 1 iso 0 dist 7.81386 9.01624 5.71898 9.55105 5.83796 3.55187 11.5866 9.81747 5.05973 8.40951 numMergedOcc 0
70 mol 181 unq 2 iso 0 dist 7.63312 9.01624 5.93724 6.64173 10.6474 11.196 11.5866 9.11469 5.05973 15.3823 numMergedOcc 0
71 mol 181 unq 3 iso 0 dist 7.63312 9.01624 5.93724 9.55105 5.12833 3.55187 11.5866 9.11469 5.05973 8.40951 numMergedOcc 0
72 mol 192 unq 0 iso 0 dist 5.59424 5.64942 6.35474 9.78634 9.53265 5.9655 5.76246 7.00794 6.97962 12.8149 numMergedOcc 0
73 mol 192 unq 1 iso 0 dist 5.59424 5.64942 6.35474 7.43054 5.25965 3.60331 5.76246 7.00794 6.97962 6.79229 numMergedOcc 0
74 mol 192 unq 2 iso 0 dist 5.59424 7.43054 5.25965 9.78634 9.53265 7.70298 5.76246 7.00794 6.79229 12.8149 numMergedOcc 0
75 mol 192 unq 3 iso 0 dist 5.59424 7.43054 5.25965 5.64942 6.35474 3.60331 5.76246 7.00794 6.79229 6.97962 numMergedOcc 0
76 mol 192 unq 4 iso 0 dist 7.00794 6.97962 6.35474 6.79229 5.25965 3.60331 5.76246 5.59424 5.64942 7.43054 numMergedOcc 0
77 mol 192 unq 5 iso 0 dist 7.00794 6.79229 5.25965 6.97962 6.35474 3.60331 5.76246 5.59424 7.43054 5.64942 numMergedOcc 0
78 mol 259 unq 0 iso 0 dist 7.88519 7.66153 8.8603 9.63573 7.20604 10.3051 4.69778 8.13497 9.07743 12.8229 numMergedOcc 0
79 mol 259 unq 1 iso 0 dist 7.84554 7.66153 5.8801 9.63573 5.05362 10.3051 4.69778 9.95973 9.07743 12.8229 numMergedOcc 0
80 mol 259 unq 2 iso 0 dist 7.46176 7.66153 11.8896 9.63573 5.21606 10.3051 4.69778 10.3935 9.07743 12.8229 numMergedOcc 0
81 mol 259 unq 3 iso 0 dist 7.46176 5.85442 10.067 6.95511 11.6988 3.51848 9.98105 12.0576 6.9899 10.4017 numMergedOcc 0
82 mol 259 unq 4 iso 0 dist 7.46176 6.95511 11.6988 5.85442 10.067 3.51848 6.96053 7.88519 9.46361 10.3406 numMergedOcc 0
83 mol 259 unq 5 iso 0 dist 5.30224 6.9899 7.09907 8.03219 4.04513 8.0048 9.98105 11.858 5.85442 11.7465 numMergedOcc 0
84 mol 259 unq 6 iso 0 dist 9.18903 7.66153 5.81576 9.63573 7.46841 10.3051 4.69778 12.6839 9.07743 12.8229 numMergedOcc 0
85 mol 277 unq 0 iso 0 dist 9.7748 8.9682 17.6038 9.35539 11.4555 16.9644 11.8268 21.4606 9.57499 15.5554 numMergedOcc 0
86 mol 277 unq 1 iso 0 dist 9.7748 8.9682 17.6038 9.35539 11.4555 16.9644 7.08227 16.3537 5.46926 14.9313 numMergedOcc 0
87 mol 277 unq 2 iso 0 dist 9.7748 8.9682 17.6038 6.92711 14.772 3.39114 11.8268 21.4606 9.57499 11.4389 numMergedOcc 0
88 mol 277 unq 3 iso 0 dist 9.7748 8.9682 17.6038 6.92711 14.772 3.39114 7.08227 16.3537 5.46926 5.13913 numMergedOcc 0
89 mol 277 unq 4 iso 0 dist 9.7748 6.92711 14.772 9.35539 11.4555 15.8851 7.08227 16.3537 5.13913 14.9313 numMergedOcc 0
90 mol 277 unq 5 iso 0 dist 9.7748 6.92711 14.772 8.9682 17.6038 3.39114 7.08227 16.3537 5.13913 5.46926 numMergedOcc 0
91 mol 292 unq 0 iso 0 dist 8.2734 8.38121 14.179 7.20674 7.8414 9.14614 11.8061 17.2013 9.90967 10.1532 numMergedOcc 0
