0 mol 39 unq 0 iso 0 dist 5.00126 9.70029 7.401 6.37567 7.33969 6.24515 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 5.00126 9.70029 7.401 5.92759 7.45237 6.47855 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 9.70415 5.67362 13.5488 10.4362 8.76003 14.7343 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 8.41567 4.73362 4.85247 7.5192 6.21982 7.03226 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 8.41567 9.61367 12.7241 7.5192 6.21982 11.4594 numMergedOcc 0
5 mol 76 unq 2 iso 0 dist 5.56964 4.73362 6.45686 11.2136 8.97793 11.1148 numMergedOcc 0
6 mol 76 unq 3 iso 0 dist 5.56964 4.73362 6.45686 7.5192 8.19682 7.03226 numMergedOcc 0
7 mol 76 unq 4 iso 0 dist 5.56964 9.61367 4.3931 11.2136 8.97793 10.8997 numMergedOcc 0
8 mol 76 unq 5 iso 0 dist 5.56964 9.61367 4.3931 7.5192 8.19682 11.4594 numMergedOcc 0
9 mol 76 unq 6 iso 0 dist 6.62246 7.3795 4.85247 9.82998 6.21982 7.03226 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 6.56728 9.78563 7.48183 8.46482 7.22293 13.2962 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 9.56324 6.36749 9.75737 15.7025 8.72704 14.4265 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 8.88255 8.61574 9.89358 10.06 9.63176 15.8603 numMergedOcc 0
13 mol 147 unq 0 iso 0 dist 6.87299 9.69865 6.97477 5.16833 8.33261 13.0963 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 6.21273 7.58118 7.11498 5.33649 6.84247 9.7334 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 6.21273 7.58118 7.11498 12.5011 6.99002 13.5801 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 7.71761 6.65275 6.48027 10.1071 8.83563 13.792 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 8.89211 6.71099 6.2188 6.12197 7.07392 7.10413 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 5.67917 8.52162 8.1195 10.761 9.90142 17.5954 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 8.96639 8.52162 13.49 12.8735 9.68513 19.5237 numMergedOcc 0
20 mol 238 unq 2 iso 0 dist 8.96639 8.52162 13.49 10.761 5.9216 17.5954 numMergedOcc 0
21 mol 241 unq 0 iso 0 dist 8.98668 9.14228 4.90279 13.6264 6.83797 8.00537 numMergedOcc 0
22 mol 256 unq 0 iso 0 dist 5.98967 9.31961 7.7384 6.25507 5.24676 9.18903 numMergedOcc 0
