0 mol 24 unq 0 iso 0 dist 8.86116 6.60423 5.97304 6.58998 6.72502 9.38831 8.66248 14.9512 9.41655 15.0537 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.86116 6.60423 5.97304 6.58998 6.72502 9.38831 6.73521 12.1131 6.803 12.8421 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.34347 8.44506 13.2876 10.6756 5.69955 16.849 6.33493 14.6069 9.41425 15.9457 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 5.73819 8.44903 5.48048 5.64171 8.60739 7.31982 9.80379 11.4251 9.82307 6.59887 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 7.95579 8.00777 5.08358 6.82174 7.33422 10.6458 5.76272 8.04242 5.72961 9.09756 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 6.19965 7.1589 5.08358 7.91778 7.33422 10.6458 8.18948 8.04242 5.72961 9.09756 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 7.71338 6.47042 10.0814 8.56707 6.43433 12.0448 4.69658 6.87434 9.34689 4.25001 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 3.78311 7.77116 8.03035 13.2169 10.1864 7.62197 10.7475 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 5.87555 8.28642 5.70788 5.59336 8.35555 6.39031 4.68615 6.79114 7.34557 4.78989 numMergedOcc 0
9 mol 152 unq 1 iso 0 dist 5.87555 8.35555 5.59336 5.70788 8.28642 6.39031 9.75376 11.2397 9.48674 6.69469 numMergedOcc 0
10 mol 156 unq 0 iso 0 dist 8.34702 5.38091 10.7023 6.44255 9.43259 5.90883 3.79489 11.8936 5.22104 6.69196 numMergedOcc 0
11 mol 156 unq 1 iso 0 dist 8.34702 5.38091 10.7023 5.82636 6.2319 8.06913 3.79489 11.8936 5.22104 7.91467 numMergedOcc 0
12 mol 156 unq 2 iso 0 dist 9.06726 5.38091 9.00862 5.82636 9.97732 8.06913 3.79489 12.1503 5.22104 7.91467 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 9.29945 7.35824 12.5754 4.24624 8.0154 11.3531 10.7092 18.0216 6.90373 14.8221 numMergedOcc 0
14 mol 175 unq 1 iso 0 dist 9.29945 8.0154 4.24624 12.3408 5.4969 7.32419 13.8965 9.19156 7.6741 6.41193 numMergedOcc 0
15 mol 175 unq 2 iso 0 dist 9.29945 8.0154 4.24624 8.68081 6.4318 8.31961 13.8965 9.19156 7.6741 10.568 numMergedOcc 0
16 mol 175 unq 3 iso 0 dist 9.29945 8.0154 4.24624 12.5754 7.35824 11.3531 13.8965 9.19156 7.6741 14.7729 numMergedOcc 0
17 mol 175 unq 4 iso 0 dist 9.29945 8.0154 4.24624 10.0424 9.17364 11.7939 13.8965 9.19156 7.6741 18.0583 numMergedOcc 0
18 mol 252 unq 0 iso 0 dist 7.19638 6.86945 5.25252 7.63376 7.50201 8.55481 9.93981 12.9602 8.38453 14.8966 numMergedOcc 0
