0 mol 0 unq 0 iso 0 dist 6.99269 5.5652 7.65806 12.8405 9.67081 8.29174 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 9.09272 11.9464 7.99312 9.49532 9.17982 4.11117 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 9.09272 11.9464 7.99312 15.8108 9.62869 4.77073 numMergedOcc 0
3 mol 41 unq 2 iso 0 dist 9.09272 11.9464 7.99312 5.36379 6.40219 6.69486 numMergedOcc 0
4 mol 41 unq 3 iso 0 dist 9.09272 10.6804 8.2183 9.49532 9.17982 4.81484 numMergedOcc 0
5 mol 41 unq 4 iso 0 dist 9.09272 10.6804 8.2183 15.8108 9.62869 7.03449 numMergedOcc 0
6 mol 41 unq 5 iso 0 dist 9.09272 10.6804 8.2183 5.36379 6.40219 7.02983 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 9.46144 8.56349 7.5732 3.4175 9.93438 6.25685 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 6.62424 11.3434 6.90986 6.61822 5.93278 6.34182 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 6.62424 11.3434 6.90986 3.71319 6.19918 8.66957 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 6.62424 9.09842 5.39945 6.61822 5.93278 3.98154 numMergedOcc 0
11 mol 115 unq 3 iso 0 dist 6.62424 9.09842 5.39945 3.71319 6.19918 6.61688 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 9.82508 7.3338 6.85062 10.705 8.80895 11.6692 numMergedOcc 0
13 mol 132 unq 0 iso 0 dist 7.41216 7.25384 7.7059 5.27265 5.77186 6.85721 numMergedOcc 0
14 mol 142 unq 0 iso 0 dist 8.60866 10.051 9.2313 9.31087 8.04118 4.05822 numMergedOcc 0
15 mol 142 unq 1 iso 0 dist 8.60866 5.56494 5.31024 9.31087 8.04118 4.7832 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 9.91541 9.97933 9.29945 6.78721 9.19156 13.8965 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 5.4116 6.18754 9.61492 5.65704 9.31158 10.8636 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 5.4116 6.20433 7.45763 5.65704 9.31158 5.42503 numMergedOcc 0
19 mol 253 unq 0 iso 0 dist 8.77809 4.39307 7.32223 3.58204 9.19385 5.85692 numMergedOcc 0
20 mol 253 unq 1 iso 0 dist 8.77809 4.39307 7.32223 12.3149 7.14243 9.00842 numMergedOcc 0
21 mol 253 unq 2 iso 0 dist 8.77809 4.39307 7.32223 14.014 5.77511 11.5574 numMergedOcc 0
22 mol 253 unq 3 iso 0 dist 8.77809 4.39307 7.32223 15.8583 7.81382 12.8384 numMergedOcc 0
23 mol 253 unq 4 iso 0 dist 8.77809 8.48607 8.31064 3.58204 9.19385 6.0222 numMergedOcc 0
24 mol 253 unq 5 iso 0 dist 8.77809 8.48607 8.31064 12.3149 7.14243 6.93212 numMergedOcc 0
25 mol 253 unq 6 iso 0 dist 8.77809 8.48607 8.31064 14.014 5.77511 10.2118 numMergedOcc 0
26 mol 253 unq 7 iso 0 dist 8.77809 8.48607 8.31064 15.8583 7.81382 12.4811 numMergedOcc 0
