0 mol 12 unq 0 iso 0 dist 8.09419 6.28065 4.76018 9.86138 4.98378 4.49007 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 7.86307 4.12573 4.76018 5.76006 4.98378 4.49007 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.13638 4.35705 7.6481 6.50646 6.82593 7.88172 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 7.46478 4.32784 6.05495 9.72945 5.71795 5.79841 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 6.18729 9.68856 7.09065 10.9288 7.59628 9.95103 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 9.29144 10.9396 6.51395 16.9651 8.59522 7.78223 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 9.70951 14.2606 7.26955 15.3829 8.00732 6.13508 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 6.33375 11.528 6.21403 8.96779 4.72977 7.80701 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 6.77398 10.2038 8.84087 16.5723 16.5096 8.44423 numMergedOcc 0
9 mol 134 unq 2 iso 0 dist 6.77398 10.2038 8.84087 15.3256 13.6359 6.16169 numMergedOcc 0
10 mol 134 unq 3 iso 0 dist 8.06229 14.42 8.84087 21.4619 16.5096 8.44423 numMergedOcc 0
11 mol 134 unq 4 iso 0 dist 8.06229 14.42 8.84087 19.7894 13.6359 6.16169 numMergedOcc 0
12 mol 134 unq 5 iso 0 dist 5.68207 10.2038 8.1856 16.5723 12.8232 8.44423 numMergedOcc 0
13 mol 134 unq 6 iso 0 dist 5.68207 10.2038 8.1856 15.3256 11.4106 6.16169 numMergedOcc 0
14 mol 250 unq 0 iso 0 dist 9.7235 4.4151 5.97993 13.6146 6.27402 9.62767 numMergedOcc 0
15 mol 250 unq 1 iso 0 dist 9.7235 4.4151 5.97993 10.2247 5.85862 5.99119 numMergedOcc 0
16 mol 265 unq 0 iso 0 dist 5.88787 4.40079 5.40318 5.14122 4.98228 7.49913 numMergedOcc 0
17 mol 266 unq 0 iso 0 dist 9.28273 6.33919 9.71152 11.9269 6.47152 9.85331 numMergedOcc 0
18 mol 271 unq 0 iso 0 dist 6.71956 4.91325 5.81266 10.0921 6.39972 5.70063 numMergedOcc 0
19 mol 271 unq 1 iso 0 dist 7.2452 4.22972 5.81266 8.98817 6.39972 5.70063 numMergedOcc 0
20 mol 280 unq 0 iso 0 dist 7.22993 4.4018 9.18069 10.7318 6.47178 9.76712 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 8.66938 7.79184 5.7131 11.0111 5.737 9.46421 numMergedOcc 0
22 mol 292 unq 1 iso 0 dist 9.97399 6.25614 5.7131 11.3875 5.737 9.46421 numMergedOcc 0
