0 mol 7 unq 0 iso 0 dist 9.67498 15.0231 9.85726 15.2305 11.5784 9.60499 17.6307 10.4728 8.43473 6.02702 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.32945 17.302 9.85726 16.6563 11.5784 9.60499 13.6771 10.4728 8.43473 6.02702 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.90117 6.96396 7.21217 6.22805 6.09254 7.10621 13.6771 12.8055 13.8829 8.72114 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 7.88676 5.66097 5.84479 10.8592 5.35079 6.31718 15.4251 12.137 10.4366 6.93532 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 8.30431 6.32949 9.62468 9.59947 10.7369 6.65721 15.4053 19.3555 13.5488 9.25641 numMergedOcc 0
5 mol 61 unq 1 iso 0 dist 4.628 6.32949 5.92705 9.59947 5.4671 6.65721 15.4053 11.9267 13.5488 9.25641 numMergedOcc 0
6 mol 102 unq 0 iso 0 dist 5.43401 7.49575 9.10229 9.0361 8.17186 7.36792 13.32 11.7662 7.42011 8.31932 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.24549 4.99061 6.49205 6.85677 5.19198 6.18601 5.00632 10.0649 5.13589 6.73586 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.07294 13.1243 8.84018 15.4604 8.00493 6.5107 18.4834 13.4486 7.12976 6.66772 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 7.50126 15.9524 8.84018 12.9713 8.00493 6.5107 18.8887 13.4486 7.12976 6.66772 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 6.21546 5.73338 8.69888 9.45659 7.39186 6.57069 14.0022 15.8107 8.29015 9.77896 numMergedOcc 0
11 mol 175 unq 1 iso 0 dist 6.03184 5.73338 5.08206 9.45659 5.77256 6.57069 14.0022 11.0322 8.29015 9.77896 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 8.78709 9.49952 6.00053 16.4033 11.1879 8.03334 14.0578 12.5826 7.81713 6.2479 numMergedOcc 0
13 mol 182 unq 0 iso 0 dist 8.94671 4.85077 7.86625 12.503 5.40949 9.31746 12.3479 9.68323 7.68794 6.73956 numMergedOcc 0
14 mol 182 unq 1 iso 0 dist 8.94671 4.85077 7.86625 12.503 5.40949 9.31746 13.6263 10.8403 9.37404 7.09394 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 7.57712 6.19375 7.31105 15.0279 14.6296 9.23153 10.7876 12.6669 7.11498 6.59716 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 7.47122 15.4433 9.75313 13.3678 6.46679 6.61986 17.9209 13.8414 12.4692 9.51597 numMergedOcc 0
17 mol 224 unq 1 iso 0 dist 5.97988 6.70321 6.08709 11.2702 7.85135 6.61986 15.8055 15.5459 12.4692 9.51597 numMergedOcc 0
18 mol 224 unq 2 iso 0 dist 6.6537 4.55824 9.75313 7.04127 6.46679 6.61986 13.4507 13.8414 12.4692 9.51597 numMergedOcc 0
19 mol 224 unq 3 iso 0 dist 9.08719 4.55824 6.08709 7.04127 7.85135 6.61986 13.4507 15.5459 12.4692 9.51597 numMergedOcc 0
20 mol 231 unq 0 iso 0 dist 7.28719 10.9863 7.79865 9.98232 5.3251 7.37839 11.1156 11.2829 9.0443 7.79066 numMergedOcc 0
21 mol 231 unq 1 iso 0 dist 7.28719 10.2117 6.14348 9.98232 5.3251 8.40182 11.1156 11.2829 12.1512 7.79066 numMergedOcc 0
22 mol 231 unq 2 iso 0 dist 6.60684 8.54452 7.79865 10.174 5.3251 7.37839 11.9497 11.2829 9.0443 7.79066 numMergedOcc 0
23 mol 231 unq 3 iso 0 dist 6.60684 6.95128 6.14348 10.174 5.3251 8.40182 11.9497 11.2829 12.1512 7.79066 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 7.70189 9.78068 8.58088 14.0712 10.221 6.60405 15.1358 12.1556 5.63675 7.21311 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 8.73077 13.6207 6.77279 11.4871 5.71237 8.13497 11.4974 9.69025 8.41846 7.98231 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 8.73077 16.6797 9.58006 11.4871 5.71237 7.88519 11.4974 9.69025 8.81835 7.98231 numMergedOcc 0
27 mol 259 unq 2 iso 0 dist 8.73077 16.6797 9.58006 16.2919 11.8501 7.46176 11.4974 9.69025 8.81835 7.08526 numMergedOcc 0
28 mol 259 unq 3 iso 0 dist 6.76656 10.908 6.77279 6.96379 5.71237 8.13497 7.39099 9.69025 8.41846 7.98231 numMergedOcc 0
29 mol 259 unq 4 iso 0 dist 6.76656 12.7595 9.58006 6.96379 5.71237 7.88519 7.39099 9.69025 8.81835 7.98231 numMergedOcc 0
30 mol 259 unq 5 iso 0 dist 6.76656 12.7595 9.58006 11.1532 11.8501 7.46176 7.39099 9.69025 8.81835 7.08526 numMergedOcc 0
