0 mol 54 unq 0 iso 0 dist 7.72041 5.56571 8.73588 6.72872 4.02037 9.20429 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 6.09085 8.88456 7.50377 5.9651 7.50975 9.40333 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 9.28726 5.1763 6.55112 12.1505 5.31985 7.46657 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 9.90992 10.7396 7.84768 9.79979 4.48636 7.9258 numMergedOcc 0
4 mol 134 unq 0 iso 0 dist 7.76446 16.0346 8.73668 14.2531 6.63454 6.00727 numMergedOcc 0
5 mol 162 unq 0 iso 0 dist 9.71155 5.58809 9.65468 5.21803 5.65603 7.69229 numMergedOcc 0
6 mol 195 unq 0 iso 0 dist 6.27266 13.3463 9.20541 12.0897 6.04871 7.04524 numMergedOcc 0
7 mol 217 unq 0 iso 0 dist 9.41353 11.8565 7.00456 11.6369 5.60586 6.23025 numMergedOcc 0
8 mol 217 unq 1 iso 0 dist 8.28155 11.8565 8.99484 11.6369 4.64118 6.23025 numMergedOcc 0
9 mol 229 unq 0 iso 0 dist 6.92268 5.19315 9.60329 6.88694 4.92403 8.83023 numMergedOcc 0
10 mol 236 unq 0 iso 0 dist 5.9625 5.81446 8.75172 8.95071 10.5937 5.90804 numMergedOcc 0
11 mol 243 unq 0 iso 0 dist 9.30388 9.97479 8.89434 12.8254 5.62653 9.35819 numMergedOcc 0
12 mol 277 unq 0 iso 0 dist 9.22453 10.2688 6.42951 7.23956 3.97543 4.81916 numMergedOcc 0
