0 mol 7 unq 0 iso 0 dist 8.88982 13.9585 7.10621 9.83056 6.09254 7.21217 10.5313 6.22805 6.96396 9.90117 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 8.19077 6.12182 7.50293 9.81175 7.35595 9.23576 5.39032 8.80956 7.46414 5.86972 numMergedOcc 0
2 mol 129 unq 0 iso 0 dist 7.00798 5.57978 8.54584 10.7832 11.5533 6.29026 9.72618 10.1938 4.80675 7.07421 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 6.29975 4.90674 6.5107 9.71281 8.00493 8.84018 13.2228 15.4604 13.1243 9.07294 numMergedOcc 0
4 mol 133 unq 1 iso 0 dist 6.29975 4.90674 6.5107 9.71281 8.00493 8.84018 15.392 12.9713 15.9524 7.50126 numMergedOcc 0
5 mol 152 unq 0 iso 0 dist 9.0847 14.8573 8.56324 21.5487 13.2491 8.89982 19.5808 11.2249 6.62991 5.59682 numMergedOcc 0
6 mol 152 unq 1 iso 0 dist 9.0847 14.8573 8.56324 21.5487 13.2491 8.89982 19.722 13.9298 7.17016 7.71277 numMergedOcc 0
7 mol 175 unq 0 iso 0 dist 7.94593 13.2723 9.0018 17.9079 11.5099 8.69888 16.5873 12.3723 5.73338 6.21546 numMergedOcc 0
8 mol 175 unq 1 iso 0 dist 7.94593 13.2723 9.0018 17.938 12.1783 5.08206 16.5873 12.3723 5.73338 6.03184 numMergedOcc 0
9 mol 178 unq 0 iso 0 dist 5.41229 4.51874 6.69288 9.32502 12.2822 8.0974 13.6149 18.3231 13.6129 8.14441 numMergedOcc 0
10 mol 178 unq 1 iso 0 dist 8.57378 4.51874 6.43573 9.32502 12.4338 8.0974 13.6149 19.4581 13.6129 8.14441 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 7.86668 5.06314 6.18308 8.14413 5.82028 9.67457 12.3207 8.07523 13.3929 6.24111 numMergedOcc 0
12 mol 210 unq 1 iso 0 dist 7.86668 5.06314 6.18308 8.14413 5.82028 9.67457 12.2935 7.56882 12.3088 9.00343 numMergedOcc 0
13 mol 210 unq 2 iso 0 dist 7.86668 5.06314 6.18308 8.14413 5.82028 9.67457 9.89233 10.5902 13.3774 6.41444 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 9.61379 9.57016 8.95269 11.3088 5.41021 9.33771 7.33406 4.79841 11.4653 7.62593 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 8.39522 4.88998 6.57393 9.67278 10.8336 6.83152 12.5042 15.3066 9.76195 5.57184 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 5.99187 5.87189 7.31233 9.67278 12.1448 5.24313 12.5042 13.8075 7.01206 5.57184 numMergedOcc 0
17 mol 241 unq 0 iso 0 dist 8.18588 10.2076 7.4631 12.8152 4.86437 9.72526 6.5604 6.40592 7.93809 9.174 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 5.31858 6.60345 6.42289 8.8726 9.22664 8.58088 4.69752 8.81059 9.78068 7.70189 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 6.20344 10.3156 7.46176 18.0859 14.8465 7.93997 16.4298 14.4933 8.63445 9.45077 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 6.20344 10.3156 7.46176 18.0859 14.8465 7.93997 15.6561 13.6279 6.18571 4.55368 numMergedOcc 0
21 mol 282 unq 0 iso 0 dist 7.34596 4.36798 8.76532 5.72197 4.58403 5.67266 5.5267 6.84554 9.67023 7.93511 numMergedOcc 0
22 mol 282 unq 1 iso 0 dist 7.34596 4.36798 8.76532 11.6773 13.108 9.63346 10.3431 14.7737 8.13794 5.62497 numMergedOcc 0
23 mol 282 unq 2 iso 0 dist 7.12228 4.36798 6.33524 5.72197 5.04235 5.67266 5.5267 9.51581 9.67023 7.93511 numMergedOcc 0
24 mol 282 unq 3 iso 0 dist 7.12228 4.36798 6.33524 11.6773 8.85797 9.63346 10.3431 11.0247 8.13794 5.62497 numMergedOcc 0
