0 mol 26 unq 0 iso 0 dist 8.01238 10.1501 8.98417 16.9951 9.5053 12.1122 numMergedOcc 0
1 mol 109 unq 0 iso 0 dist 8.82036 9.91621 9.13614 8.69165 6.76575 5.02505 numMergedOcc 0
2 mol 120 unq 0 iso 0 dist 8.19198 9.74642 8.64019 5.25155 6.03352 6.87987 numMergedOcc 0
3 mol 147 unq 0 iso 0 dist 6.6094 12.352 8.40219 5.78019 7.25644 14.4753 numMergedOcc 0
4 mol 147 unq 1 iso 0 dist 9.70579 12.3045 8.40219 7.70253 7.25644 14.4753 numMergedOcc 0
5 mol 147 unq 2 iso 0 dist 8.514 10.4422 8.40219 9.29701 7.25644 14.4753 numMergedOcc 0
6 mol 158 unq 0 iso 0 dist 8.94488 11.9567 7.23059 8.77064 5.8628 6.61554 numMergedOcc 0
7 mol 173 unq 0 iso 0 dist 6.07708 5.45307 9.31172 5.86572 8.03528 10.2708 numMergedOcc 0
8 mol 194 unq 0 iso 0 dist 7.71806 12.1121 5.4455 5.5201 6.37788 10.3444 numMergedOcc 0
9 mol 194 unq 1 iso 0 dist 7.71806 12.1121 5.4455 6.55595 8.7028 14.1482 numMergedOcc 0
10 mol 204 unq 0 iso 0 dist 9.639 14.4545 8.82861 7.32929 5.91727 12.0796 numMergedOcc 0
11 mol 247 unq 0 iso 0 dist 8.46644 10.2114 6.29945 17.0538 9.84493 8.87922 numMergedOcc 0
12 mol 266 unq 0 iso 0 dist 5.62193 5.26607 9.54381 5.81384 9.53943 9.39654 numMergedOcc 0
13 mol 278 unq 0 iso 0 dist 8.91606 15.1561 9.73172 10.4329 7.21972 7.10699 numMergedOcc 0
