0 mol 16 unq 0 iso 0 dist 6.28033 6.64634 7.65889 12.3978 10.2656 6.42835 16.2845 16.3417 9.87867 7.03948 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 6.68311 8.89611 7.12321 10.1695 5.36766 9.74228 13.1473 6.77912 9.88768 8.624 numMergedOcc 0
2 mol 72 unq 1 iso 0 dist 6.68311 8.89611 7.12321 10.1663 8.24309 6.21799 11.1274 12.0903 5.5067 9.02278 numMergedOcc 0
3 mol 72 unq 2 iso 0 dist 9.96602 9.64805 9.56773 10.1663 5.8486 5.03251 11.1274 13.0378 4.01021 9.02278 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.124 15.2252 7.4369 10.1112 5.4148 9.73086 10.0721 4.65521 6.15714 8.70133 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.16299 6.52486 5.5087 10.8051 8.07446 5.61588 14.1688 13.6145 8.97361 7.13087 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 8.16299 10.9731 6.08682 10.8051 8.07446 7.83244 14.1688 13.6145 10.2983 7.13087 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 8.27015 13.0059 5.5087 13.7608 8.07446 5.61588 20.5776 13.6145 8.97361 7.13087 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 8.27015 14.1533 6.08682 13.7608 8.07446 7.83244 20.5776 13.6145 10.2983 7.13087 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 8.41567 6.65453 6.72869 5.56964 10.2879 9.85905 11.2136 11.062 9.21694 8.97793 numMergedOcc 0
10 mol 76 unq 1 iso 0 dist 8.41567 6.65453 6.72869 5.56964 10.2879 9.85905 7.5192 6.21982 4.00608 8.19682 numMergedOcc 0
11 mol 76 unq 2 iso 0 dist 5.56964 6.65453 9.85905 8.41567 10.2879 6.72869 7.5192 8.19682 4.00608 6.21982 numMergedOcc 0
12 mol 76 unq 3 iso 0 dist 6.62246 7.15288 6.72869 12.885 10.2879 9.85905 15.4389 11.062 9.21694 8.97793 numMergedOcc 0
13 mol 76 unq 4 iso 0 dist 6.62246 7.15288 6.72869 12.885 10.2879 9.85905 9.82998 6.21982 4.00608 8.19682 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 8.97043 7.34308 6.39384 12.9647 7.69052 9.42082 7.266 9.66954 6.49835 8.66155 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 7.27598 12.487 7.93372 12.3933 5.49782 7.21868 7.26771 5.42582 5.67107 8.79571 numMergedOcc 0
16 mol 142 unq 0 iso 0 dist 9.14908 9.15345 6.14151 10.9228 5.32922 7.81207 11.8956 9.07935 5.26247 7.15475 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 9.18245 5.68795 5.05973 13.2054 11.5866 9.01624 13.3659 16.7285 12.2513 7.98142 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 9.18245 5.68795 5.05973 13.2054 11.5866 9.01624 17.9149 18.3916 14.8923 7.37327 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 4.851 6.13691 6.67404 9.66527 5.61978 7.33709 16.5352 13.6555 11.6662 8.53199 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 9.60159 5.19262 5.23634 12.0857 5.22356 6.91318 14.7139 13.4493 11.5454 9.62609 numMergedOcc 0
21 mol 227 unq 1 iso 0 dist 9.60159 5.19262 5.23634 12.0857 5.22356 6.91318 7.35206 8.17891 4.09934 6.95902 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 7.64276 4.48114 9.12776 13.6759 15.7907 9.72188 14.9097 12.3367 11.7938 9.29858 numMergedOcc 0
