0 mol 16 unq 0 iso 0 dist 8.59049 6.21616 6.86055 5.61445 11.0958 6.42835 11.7652 16.2803 9.87867 7.03948 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.59049 9.45103 12.9201 5.61445 11.0958 6.57331 11.7652 16.2803 4.68733 7.03948 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 8.59049 9.45103 12.9201 12.5048 15.8605 8.43054 11.7652 16.2803 4.68733 5.47769 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 6.7212 8.16985 7.47371 10.1721 10.8086 9.74228 11.9031 7.11552 9.88768 8.624 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 6.7212 8.16985 7.47371 11.6369 9.96708 7.12321 11.9031 7.11552 9.88768 6.77912 numMergedOcc 0
5 mol 72 unq 2 iso 0 dist 6.7212 8.16985 7.47371 6.12361 9.78528 6.21799 10.8529 11.6894 5.5067 9.02278 numMergedOcc 0
6 mol 72 unq 3 iso 0 dist 6.7212 7.81344 9.67587 6.12361 9.78528 5.03251 10.8529 11.6894 4.01021 9.02278 numMergedOcc 0
7 mol 72 unq 4 iso 0 dist 6.7212 5.49421 7.07356 6.12361 9.78528 7.66093 10.8529 11.6894 6.40102 9.02278 numMergedOcc 0
8 mol 72 unq 5 iso 0 dist 9.08821 8.16985 8.59184 10.1721 15.6977 9.74228 11.9031 12.0823 9.88768 8.624 numMergedOcc 0
9 mol 72 unq 6 iso 0 dist 9.08821 8.16985 8.59184 11.6369 13.9308 7.12321 11.9031 12.0823 9.88768 6.77912 numMergedOcc 0
10 mol 72 unq 7 iso 0 dist 9.08821 8.16985 8.59184 6.12361 12.4486 6.21799 10.8529 10.0555 5.5067 9.02278 numMergedOcc 0
11 mol 72 unq 8 iso 0 dist 9.08821 7.81344 10.04 6.12361 12.4486 5.03251 10.8529 10.0555 4.01021 9.02278 numMergedOcc 0
12 mol 72 unq 9 iso 0 dist 9.08821 5.49421 5.84044 6.12361 12.4486 7.66093 10.8529 10.0555 6.40102 9.02278 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 8.96916 5.30117 6.30222 5.92158 6.45675 5.35782 12.237 7.2495 12.1093 8.72704 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 5.70279 5.30117 5.47563 5.92158 7.47343 5.35782 12.237 10.1589 12.1093 8.72704 numMergedOcc 0
15 mol 117 unq 0 iso 0 dist 8.81172 8.54233 6.57678 5.34484 9.84395 6.10127 11.3437 11.3679 6.95589 6.62561 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 5.22024 7.49352 4.63567 14.3463 12.3971 7.99477 14.8345 11.3131 9.61537 8.94837 numMergedOcc 0
17 mol 142 unq 0 iso 0 dist 7.15087 5.90339 4.67662 8.68855 9.2313 7.81207 9.15112 9.49653 5.26247 7.15475 numMergedOcc 0
18 mol 142 unq 1 iso 0 dist 7.15087 5.90339 4.67662 5.50176 5.31024 6.14151 9.15112 9.49653 5.26247 9.07935 numMergedOcc 0
19 mol 155 unq 0 iso 0 dist 5.68636 8.14405 4.91785 7.92939 6.43582 8.97626 16.0761 12.1814 12.0485 9.14392 numMergedOcc 0
20 mol 155 unq 1 iso 0 dist 5.68636 8.14405 4.91785 7.92939 6.43582 8.97626 10.6429 6.34186 4.48516 7.51198 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 9.73411 5.31916 7.05804 9.81806 6.57273 8.79428 14.0429 5.29877 10.9705 6.65984 numMergedOcc 0
22 mol 224 unq 1 iso 0 dist 7.75485 5.31916 4.54188 9.81806 10.5128 8.79428 14.0429 10.449 10.9705 6.65984 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 5.75874 6.95658 6.73882 6.80302 10.5767 7.66153 14.1263 17.9331 14.0829 7.48005 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 8.57619 9.2885 4.04513 5.43184 5.30224 8.03219 11.4829 4.99891 8.90322 6.77938 numMergedOcc 0
25 mol 259 unq 2 iso 0 dist 8.57619 9.2885 4.04513 5.43184 5.30224 8.03219 12.2858 5.32839 7.27192 7.76676 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 5.82876 5.64169 5.22914 11.5127 12.3938 9.30212 15.6001 17.8575 15.0646 6.50589 numMergedOcc 0
27 mol 274 unq 1 iso 0 dist 8.71129 5.64169 10.2884 11.5127 13.5896 9.30212 15.6001 17.7203 15.0646 6.50589 numMergedOcc 0
28 mol 276 unq 0 iso 0 dist 8.79189 8.51449 8.26321 6.33662 6.87396 8.6759 13.3054 6.4102 13.5196 8.76347 numMergedOcc 0
