0 mol 7 unq 0 iso 0 dist 8.36111 5.77391 6.1206 11.9671 7.12508 7.10621 5.99898 4.80709 7.67927 11.143 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.99898 5.77391 7.67927 11.9671 11.143 7.10621 8.36111 4.80709 6.1206 7.12508 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.2834 10.3415 7.67927 16.4849 11.143 7.10621 10.7311 4.80709 6.1206 7.12508 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 6.21616 5.61445 6.42835 8.82587 5.01101 5.05803 9.45103 6.09368 6.57331 4.65873 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 9.45103 5.61445 6.57331 8.82587 4.65873 5.05803 6.21616 6.09368 6.42835 5.01101 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 9.95169 4.96681 9.48085 9.22151 5.18617 7.57578 9.55662 12.7147 4.79873 10.2864 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 9.95169 4.96681 9.48085 6.22122 5.68041 7.17969 9.55662 12.7147 4.79873 11.4148 numMergedOcc 0
7 mol 25 unq 2 iso 0 dist 9.95169 12.2441 9.49421 14.305 13.6145 5.04899 18.8773 16.0628 7.52933 5.03027 numMergedOcc 0
8 mol 25 unq 3 iso 0 dist 9.95169 12.2441 9.49421 14.305 13.6145 5.04899 14.5916 12.1732 6.55597 4.69295 numMergedOcc 0
9 mol 25 unq 4 iso 0 dist 9.95169 12.2441 9.49421 14.305 13.6145 5.04899 17.19 8.99147 9.71956 12.2542 numMergedOcc 0
10 mol 25 unq 5 iso 0 dist 9.95169 12.2441 9.49421 14.305 13.6145 5.04899 15.9245 9.54872 7.07751 8.79309 numMergedOcc 0
11 mol 25 unq 6 iso 0 dist 9.95169 12.2441 9.49421 14.305 13.6145 5.04899 19.8568 14.6175 8.23761 8.17061 numMergedOcc 0
12 mol 72 unq 0 iso 0 dist 8.16985 6.12361 6.21799 6.7212 7.47371 9.78528 7.81344 3.43675 5.03251 9.67587 numMergedOcc 0
13 mol 72 unq 1 iso 0 dist 8.16985 6.12361 6.21799 6.7212 7.47371 9.78528 5.49421 5.75711 7.66093 7.07356 numMergedOcc 0
14 mol 72 unq 2 iso 0 dist 7.81344 6.12361 5.03251 6.7212 9.67587 9.78528 8.16985 3.43675 6.21799 7.47371 numMergedOcc 0
15 mol 72 unq 3 iso 0 dist 7.81344 6.12361 5.03251 6.7212 9.67587 9.78528 5.49421 5.26077 7.66093 7.07356 numMergedOcc 0
16 mol 72 unq 4 iso 0 dist 7.49245 5.43672 5.03251 13.3713 9.67587 9.78528 10.226 3.43675 6.21799 7.47371 numMergedOcc 0
17 mol 72 unq 5 iso 0 dist 7.49245 5.43672 5.03251 13.3713 9.67587 9.78528 8.9225 5.26077 7.66093 7.07356 numMergedOcc 0
18 mol 72 unq 6 iso 0 dist 5.49421 6.12361 7.66093 6.7212 7.07356 9.78528 8.16985 5.75711 6.21799 7.47371 numMergedOcc 0
19 mol 72 unq 7 iso 0 dist 5.49421 6.12361 7.66093 6.7212 7.07356 9.78528 7.81344 5.26077 5.03251 9.67587 numMergedOcc 0
20 mol 98 unq 0 iso 0 dist 4.79891 4.72129 7.02507 8.05602 7.03983 6.48948 9.55337 9.6331 5.92242 3.9764 numMergedOcc 0
21 mol 98 unq 1 iso 0 dist 6.74197 11.0642 7.54889 15.44 10.4782 6.10456 12.3653 6.70343 5.2571 3.9764 numMergedOcc 0
22 mol 100 unq 0 iso 0 dist 5.30117 5.92158 5.35782 8.96916 6.30222 6.45675 8.38273 3.5565 7.82475 5.43561 numMergedOcc 0
23 mol 100 unq 1 iso 0 dist 5.30117 5.92158 5.35782 5.70279 5.47563 7.47343 8.38273 3.5565 7.82475 5.9143 numMergedOcc 0
24 mol 100 unq 2 iso 0 dist 5.30117 5.92158 5.35782 9.71692 5.03232 8.86688 8.38273 3.5565 7.82475 5.25234 numMergedOcc 0
25 mol 109 unq 0 iso 0 dist 9.05604 5.25186 6.29161 11.8274 6.73011 7.34473 5.58623 7.49425 7.86666 13.0886 numMergedOcc 0
26 mol 109 unq 1 iso 0 dist 5.58623 5.25186 7.86666 11.8274 13.0886 7.34473 9.05604 7.49425 6.29161 6.73011 numMergedOcc 0
27 mol 129 unq 0 iso 0 dist 8.46972 10.1294 5.51197 17.6185 12.1739 8.54584 13.944 5.94312 6.69691 8.26896 numMergedOcc 0
28 mol 129 unq 1 iso 0 dist 8.46972 10.1294 5.51197 17.6185 12.1739 8.54584 15.9447 9.74141 8.86944 5.63254 numMergedOcc 0
29 mol 142 unq 0 iso 0 dist 5.90339 8.68855 7.81207 7.15087 4.67662 9.2313 15.501 13.4681 7.18002 13.5913 numMergedOcc 0
30 mol 142 unq 1 iso 0 dist 5.90339 8.68855 7.81207 10.5719 5.81599 7.73169 15.501 13.4681 7.18002 9.99555 numMergedOcc 0
31 mol 142 unq 2 iso 0 dist 5.90339 8.68855 7.81207 15.3413 11.1 8.96657 15.501 13.4681 7.18002 6.52253 numMergedOcc 0
32 mol 222 unq 0 iso 0 dist 8.51427 5.60111 5.56538 5.47561 6.84862 7.21333 11.6182 3.58181 7.48954 9.53117 numMergedOcc 0
33 mol 243 unq 0 iso 0 dist 5.54003 7.95216 8.67156 12.7318 9.89868 8.23192 10.4009 6.67199 7.10671 5.74165 numMergedOcc 0
34 mol 259 unq 0 iso 0 dist 9.2885 5.43184 8.03219 8.57619 4.04513 5.30224 10.5384 8.0048 6.9899 7.09907 numMergedOcc 0
35 mol 259 unq 1 iso 0 dist 6.95658 6.80302 7.66153 10.9903 8.8603 7.88519 14.7473 10.3051 9.63573 7.20604 numMergedOcc 0
36 mol 259 unq 2 iso 0 dist 6.95658 6.80302 7.66153 10.8535 5.8801 7.84554 14.7473 10.3051 9.63573 5.05362 numMergedOcc 0
37 mol 259 unq 3 iso 0 dist 6.95658 6.80302 7.66153 13.7903 11.8896 7.46176 14.7473 10.3051 9.63573 5.21606 numMergedOcc 0
38 mol 259 unq 4 iso 0 dist 6.95658 6.80302 7.66153 11.7532 5.81576 9.18903 14.7473 10.3051 9.63573 7.46841 numMergedOcc 0
