0 mol 59 unq 0 iso 0 dist 5.41134 9.23605 7.07517 5.96516 8.185 6.68153 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 9.23605 5.41134 7.07517 5.96516 6.68153 8.185 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 5.73908 6.77421 11.2311 7.27578 5.26566 13.7148 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 5.73908 6.77421 11.2311 5.66182 6.27118 12.2122 numMergedOcc 0
4 mol 123 unq 0 iso 0 dist 8.56386 7.15869 13.8924 10.941 8.40918 16.3401 numMergedOcc 0
5 mol 127 unq 0 iso 0 dist 5.52891 8.58317 6.87199 4.58529 9.64136 10.2488 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 9.96416 7.17051 12.1681 8.87194 9.35049 10.3668 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 9.96416 5.9962 9.34083 8.87194 9.35049 13.1234 numMergedOcc 0
8 mol 163 unq 0 iso 0 dist 6.89529 8.66172 15.2428 5.5479 9.69093 10.0866 numMergedOcc 0
9 mol 217 unq 0 iso 0 dist 8.72578 8.80103 15.2136 8.03625 7.94351 16.6393 numMergedOcc 0
10 mol 219 unq 0 iso 0 dist 7.26376 8.55971 10.4254 5.23281 8.58891 11.2782 numMergedOcc 0
11 mol 244 unq 0 iso 0 dist 9.53211 9.57082 17.8037 3.29359 9.3491 12.2072 numMergedOcc 0
12 mol 254 unq 0 iso 0 dist 5.17988 8.76115 9.90149 3.67192 7.02613 12.2956 numMergedOcc 0
13 mol 254 unq 1 iso 0 dist 5.17988 8.76115 9.90149 10.2653 8.95185 8.96529 numMergedOcc 0
14 mol 254 unq 2 iso 0 dist 8.76115 5.17988 9.90149 12.9566 8.30975 16.4475 numMergedOcc 0
15 mol 254 unq 3 iso 0 dist 8.76115 5.17988 9.90149 10.5182 8.10036 14.1621 numMergedOcc 0
16 mol 254 unq 4 iso 0 dist 8.76115 5.17988 9.90149 10.2653 8.96529 8.95185 numMergedOcc 0
17 mol 260 unq 0 iso 0 dist 8.55211 8.44162 9.87285 9.04755 6.90472 10.0097 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 9.56601 6.70261 6.22487 10.5503 9.98182 12.4778 numMergedOcc 0
19 mol 283 unq 0 iso 0 dist 8.89292 8.43009 7.89565 6.39025 5.38739 10.1143 numMergedOcc 0
20 mol 293 unq 0 iso 0 dist 6.97887 4.66962 5.85599 5.93756 7.15948 6.52792 numMergedOcc 0
21 mol 293 unq 1 iso 0 dist 6.97887 6.04186 7.34816 5.93756 7.15948 10.4954 numMergedOcc 0
22 mol 293 unq 2 iso 0 dist 4.66962 6.97887 5.85599 5.93756 6.52792 7.15948 numMergedOcc 0
23 mol 293 unq 3 iso 0 dist 4.66962 6.04186 8.64916 5.93756 6.52792 10.4954 numMergedOcc 0
24 mol 294 unq 0 iso 0 dist 8.55037 5.71656 13.7241 3.83842 9.49562 8.32582 numMergedOcc 0
25 mol 294 unq 1 iso 0 dist 5.71656 8.55037 13.7241 3.83842 8.32582 9.49562 numMergedOcc 0
