0 mol 34 unq 0 iso 0 dist 7.10899 13.0514 6.87871 5.70643 7.78892 14.5506 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.38387 7.67926 9.74445 4.99287 8.03754 8.75469 numMergedOcc 0
2 mol 112 unq 0 iso 0 dist 7.15985 8.86411 6.85381 12.3624 9.90769 5.46269 numMergedOcc 0
3 mol 122 unq 0 iso 0 dist 6.78949 9.13822 8.33083 4.24711 8.75778 13.1171 numMergedOcc 0
4 mol 122 unq 1 iso 0 dist 9.40018 3.45209 8.33083 13.7131 8.75778 13.1171 numMergedOcc 0
5 mol 129 unq 0 iso 0 dist 9.28278 4.99299 6.29026 4.74644 8.00624 5.06265 numMergedOcc 0
6 mol 152 unq 0 iso 0 dist 8.07256 8.50267 9.10619 4.81561 8.41774 7.53439 numMergedOcc 0
7 mol 176 unq 0 iso 0 dist 7.30954 8.67242 9.03194 14.7871 8.02366 13.0853 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 7.41378 10.3022 6.43406 4.44971 9.4775 10.3906 numMergedOcc 0
9 mol 181 unq 1 iso 0 dist 7.41378 10.3022 6.43406 4.82806 4.71906 7.11585 numMergedOcc 0
10 mol 214 unq 0 iso 0 dist 9.51764 15.3761 8.49704 8.79059 9.92165 17.1631 numMergedOcc 0
11 mol 214 unq 1 iso 0 dist 5.36829 8.72971 8.49704 10.6379 9.92165 17.1631 numMergedOcc 0
12 mol 224 unq 0 iso 0 dist 8.46129 9.97999 7.39839 6.32111 8.80858 5.8656 numMergedOcc 0
13 mol 249 unq 0 iso 0 dist 6.37672 11.3437 7.29898 7.08836 6.26142 10.254 numMergedOcc 0
14 mol 249 unq 1 iso 0 dist 6.37672 13.0712 8.91685 7.08836 6.26142 8.81984 numMergedOcc 0
15 mol 249 unq 2 iso 0 dist 8.94023 11.2158 7.29898 9.91022 6.26142 10.254 numMergedOcc 0
16 mol 249 unq 3 iso 0 dist 8.94023 13.8209 8.91685 9.91022 6.26142 8.81984 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 9.59174 5.24482 6.09782 9.2365 7.57187 5.00751 numMergedOcc 0
18 mol 258 unq 1 iso 0 dist 5.73834 3.95075 8.58088 5.66907 9.04358 5.27718 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 8.49076 5.66978 9.02749 5.02003 8.88221 10.3702 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 8.49076 5.66978 9.02749 12.6116 9.65027 14.5909 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 9.29635 15.5244 6.90434 12.5633 4.81916 5.95045 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 7.74162 11.6227 8.13489 6.30894 9.24472 12.9291 numMergedOcc 0
