0 mol 26 unq 0 iso 0 dist 9.7522 4.21886 9.80897 6.67455 5.71065 9.00844 numMergedOcc 0
1 mol 63 unq 0 iso 0 dist 8.94945 3.86843 5.41831 7.09184 8.95233 7.7106 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 8.99491 4.69203 8.75668 9.82294 5.9853 7.32896 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 5.47319 4.2124 7.25721 7.30652 7.0643 8.90763 numMergedOcc 0
4 mol 171 unq 0 iso 0 dist 6.07091 4.78402 7.73971 12.5562 11.386 9.4879 numMergedOcc 0
5 mol 181 unq 0 iso 0 dist 7.41378 4.44971 9.4775 5.13534 4.62576 8.88938 numMergedOcc 0
6 mol 181 unq 1 iso 0 dist 7.41378 4.82806 4.71906 5.13534 4.62576 5.86442 numMergedOcc 0
7 mol 181 unq 2 iso 0 dist 7.41378 4.82806 4.71906 9.7657 4.80932 8.88481 numMergedOcc 0
8 mol 226 unq 0 iso 0 dist 7.117 4.00573 5.90092 11.4968 11.0623 9.8349 numMergedOcc 0
9 mol 226 unq 1 iso 0 dist 7.117 4.00573 5.90092 5.71182 4.66606 6.72708 numMergedOcc 0
10 mol 226 unq 2 iso 0 dist 7.117 4.00573 5.90092 11.5254 6.84726 8.01046 numMergedOcc 0
11 mol 249 unq 0 iso 0 dist 6.37672 7.08836 6.26142 9.69125 6.52201 8.04358 numMergedOcc 0
12 mol 249 unq 1 iso 0 dist 8.94023 9.91022 6.26142 13.6983 6.52201 8.04358 numMergedOcc 0
13 mol 252 unq 0 iso 0 dist 6.1197 7.86606 5.82903 10.5035 4.90903 5.63485 numMergedOcc 0
14 mol 261 unq 0 iso 0 dist 9.73983 5.96176 7.00833 12.4826 4.25662 8.50063 numMergedOcc 0
15 mol 282 unq 0 iso 0 dist 8.76638 5.28484 9.4493 12.7799 9.07097 8.99154 numMergedOcc 0
