0 mol 16 unq 0 iso 0 dist 8.59049 6.21616 6.86055 5.61445 11.0958 6.42835 9.45103 12.9201 6.09368 6.57331 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.59049 9.45103 12.9201 5.61445 11.0958 6.57331 6.21616 6.86055 6.09368 6.42835 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.22151 9.95169 5.18617 4.96681 7.57578 9.48085 9.55662 10.2864 12.7147 4.79873 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 9.22151 9.95169 5.18617 12.2441 12.7009 9.49421 14.5916 13.2447 12.1732 6.55597 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 9.22151 9.95169 5.18617 12.2441 12.7009 9.49421 17.19 11.3512 8.99147 9.71956 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 9.22151 9.95169 5.18617 12.2441 12.7009 9.49421 15.9245 11.8139 9.54872 7.07751 numMergedOcc 0
6 mol 25 unq 4 iso 0 dist 9.22151 9.95169 5.18617 12.2441 12.7009 9.49421 19.8568 17.5134 14.6175 8.23761 numMergedOcc 0
7 mol 25 unq 5 iso 0 dist 9.22151 9.95169 5.18617 12.2441 12.7009 9.49421 18.8773 18.6183 16.0628 7.52933 numMergedOcc 0
8 mol 25 unq 6 iso 0 dist 6.22122 9.95169 5.68041 4.96681 7.17969 9.48085 9.55662 11.4148 12.7147 4.79873 numMergedOcc 0
9 mol 25 unq 7 iso 0 dist 6.22122 9.95169 5.68041 12.2441 12.8117 9.49421 14.5916 14.9982 12.1732 6.55597 numMergedOcc 0
10 mol 25 unq 8 iso 0 dist 6.22122 9.95169 5.68041 12.2441 12.8117 9.49421 17.19 14.0853 8.99147 9.71956 numMergedOcc 0
11 mol 25 unq 9 iso 0 dist 6.22122 9.95169 5.68041 12.2441 12.8117 9.49421 15.9245 14.1251 9.54872 7.07751 numMergedOcc 0
12 mol 25 unq 10 iso 0 dist 6.22122 9.95169 5.68041 12.2441 12.8117 9.49421 19.8568 19.2117 14.6175 8.23761 numMergedOcc 0
13 mol 25 unq 11 iso 0 dist 6.22122 9.95169 5.68041 12.2441 12.8117 9.49421 18.8773 19.7151 16.0628 7.52933 numMergedOcc 0
14 mol 72 unq 0 iso 0 dist 6.7212 8.16985 7.47371 6.12361 9.78528 6.21799 7.81344 9.67587 3.43675 5.03251 numMergedOcc 0
15 mol 72 unq 1 iso 0 dist 6.7212 8.16985 7.47371 6.12361 9.78528 6.21799 5.49421 7.07356 5.75711 7.66093 numMergedOcc 0
16 mol 72 unq 2 iso 0 dist 6.7212 7.81344 9.67587 6.12361 9.78528 5.03251 8.16985 7.47371 3.43675 6.21799 numMergedOcc 0
17 mol 72 unq 3 iso 0 dist 6.7212 7.81344 9.67587 6.12361 9.78528 5.03251 5.49421 7.07356 5.26077 7.66093 numMergedOcc 0
18 mol 72 unq 4 iso 0 dist 6.7212 5.49421 7.07356 6.12361 9.78528 7.66093 8.16985 7.47371 5.75711 6.21799 numMergedOcc 0
19 mol 72 unq 5 iso 0 dist 6.7212 5.49421 7.07356 6.12361 9.78528 7.66093 7.81344 9.67587 5.26077 5.03251 numMergedOcc 0
20 mol 72 unq 6 iso 0 dist 9.08821 8.16985 8.59184 6.12361 12.4486 6.21799 7.81344 10.04 3.43675 5.03251 numMergedOcc 0
21 mol 72 unq 7 iso 0 dist 9.08821 8.16985 8.59184 6.12361 12.4486 6.21799 5.49421 5.84044 5.75711 7.66093 numMergedOcc 0
22 mol 72 unq 8 iso 0 dist 9.08821 7.81344 10.04 6.12361 12.4486 5.03251 8.16985 8.59184 3.43675 6.21799 numMergedOcc 0
23 mol 72 unq 9 iso 0 dist 9.08821 7.81344 10.04 6.12361 12.4486 5.03251 5.49421 5.84044 5.26077 7.66093 numMergedOcc 0
24 mol 72 unq 10 iso 0 dist 9.08821 5.49421 5.84044 6.12361 12.4486 7.66093 8.16985 8.59184 5.75711 6.21799 numMergedOcc 0
25 mol 72 unq 11 iso 0 dist 9.08821 5.49421 5.84044 6.12361 12.4486 7.66093 7.81344 10.04 5.26077 5.03251 numMergedOcc 0
26 mol 98 unq 0 iso 0 dist 8.05602 4.79891 7.03983 4.72129 6.48948 7.02507 9.55337 3.9764 9.6331 5.92242 numMergedOcc 0
27 mol 100 unq 0 iso 0 dist 8.96916 5.30117 6.30222 5.92158 6.45675 5.35782 8.38273 5.43561 3.5565 7.82475 numMergedOcc 0
28 mol 100 unq 1 iso 0 dist 5.70279 5.30117 5.47563 5.92158 7.47343 5.35782 8.38273 5.9143 3.5565 7.82475 numMergedOcc 0
29 mol 129 unq 0 iso 0 dist 6.23966 8.46972 6.28232 10.1294 10.1333 5.51197 13.944 10.6599 5.94312 6.69691 numMergedOcc 0
30 mol 129 unq 1 iso 0 dist 6.23966 8.46972 6.28232 10.1294 10.1333 5.51197 15.9447 12.3705 9.74141 8.86944 numMergedOcc 0
31 mol 134 unq 0 iso 0 dist 5.22024 7.49352 4.63567 10.5666 9.47394 5.35237 11.0722 6.63454 6.05407 8.70621 numMergedOcc 0
32 mol 134 unq 1 iso 0 dist 5.22024 7.49352 4.63567 14.3463 12.3971 7.99477 9.78764 5.76063 4.87973 9.00918 numMergedOcc 0
33 mol 142 unq 0 iso 0 dist 7.15087 5.90339 4.67662 8.68855 9.2313 7.81207 15.501 13.5913 13.4681 7.18002 numMergedOcc 0
34 mol 222 unq 0 iso 0 dist 5.47561 8.51427 6.84862 5.60111 7.21333 5.56538 11.6182 9.53117 3.58181 7.48954 numMergedOcc 0
35 mol 259 unq 0 iso 0 dist 5.75874 6.95658 6.73882 6.80302 10.5767 7.66153 14.7473 15.3689 10.3051 9.63573 numMergedOcc 0
36 mol 259 unq 1 iso 0 dist 8.57619 9.2885 4.04513 5.43184 5.30224 8.03219 10.5384 7.09907 8.0048 6.9899 numMergedOcc 0
37 mol 274 unq 0 iso 0 dist 5.82876 5.64169 5.22914 11.5127 12.3938 9.30212 13.5288 14.7507 13.5848 6.4611 numMergedOcc 0
38 mol 274 unq 1 iso 0 dist 8.71129 5.64169 10.2884 11.5127 13.5896 9.30212 13.5288 13.0867 13.5848 6.4611 numMergedOcc 0
