0 mol 41 unq 0 iso 0 dist 8.19484 5.91275 7.89705 5.14132 5.52067 6.26099 9.90656 7.56029 6.02913 9.95354 numMergedOcc 0
1 mol 74 unq 0 iso 0 dist 9.43699 15.6209 9.4866 10.1834 4.79413 7.67374 8.38339 6.3567 7.39752 5.38404 numMergedOcc 0
2 mol 74 unq 1 iso 0 dist 5.23115 11.5089 9.4866 3.94075 4.79413 7.67374 8.14688 6.3567 7.39752 5.38404 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 7.81334 7.08972 4.66377 5.72925 8.69209 6.00832 10.4613 9.86664 8.26803 5.55865 numMergedOcc 0
4 mol 130 unq 0 iso 0 dist 7.62584 5.11455 4.85559 4.9574 6.42785 5.53247 11.9741 6.5739 7.12852 11.4437 numMergedOcc 0
5 mol 130 unq 1 iso 0 dist 7.62584 10.0429 6.87562 4.9574 6.42785 11.1141 11.9741 6.5739 3.79867 11.4437 numMergedOcc 0
6 mol 130 unq 2 iso 0 dist 7.39532 7.43279 4.85559 6.53156 6.42785 5.53247 9.25976 6.5739 7.12852 11.4437 numMergedOcc 0
7 mol 130 unq 3 iso 0 dist 7.39532 10.9627 6.87562 6.53156 6.42785 11.1141 9.25976 6.5739 3.79867 11.4437 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 9.2042 7.10961 6.31314 12.9483 7.53158 7.06802 5.18463 9.82982 5.93188 12.9875 numMergedOcc 0
9 mol 154 unq 1 iso 0 dist 9.2042 7.10961 6.31314 9.90775 7.43407 6.88913 5.18463 9.82982 5.93188 11.8727 numMergedOcc 0
10 mol 158 unq 0 iso 0 dist 6.92225 5.52015 7.24115 5.49464 6.39981 8.52244 9.02669 6.11331 4.87865 9.88872 numMergedOcc 0
11 mol 194 unq 0 iso 0 dist 7.47107 14.7761 8.63008 11.5684 9.77862 8.91682 12.1522 5.53324 5.39223 8.31541 numMergedOcc 0
12 mol 194 unq 1 iso 0 dist 7.47107 14.7761 8.63008 11.5684 9.77862 8.91682 5.18485 6.72182 11.8568 6.72001 numMergedOcc 0
13 mol 227 unq 0 iso 0 dist 8.12518 5.22879 9.33735 4.71182 9.20589 9.78356 10.4658 5.28771 13.5696 9.08701 numMergedOcc 0
14 mol 227 unq 1 iso 0 dist 8.12518 5.22879 9.33735 7.51342 7.89801 6.0465 10.4658 5.28771 13.5696 12.0749 numMergedOcc 0
15 mol 237 unq 0 iso 0 dist 9.74081 13.9685 7.68769 9.68452 7.35569 5.18559 6.94282 8.7414 12.2324 9.99177 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 5.63154 13.1905 8.84798 7.73611 8.23056 14.1561 3.77031 5.8304 14.4305 6.25207 numMergedOcc 0
17 mol 279 unq 1 iso 0 dist 5.63154 13.1905 8.84798 7.73611 8.23056 14.1561 9.11782 7.37478 6.08238 10.8722 numMergedOcc 0
