0 mol 73 unq 0 iso 0 dist 9.94312 10.1715 5.30477 13.885 5.17759 5.7684 numMergedOcc 0
1 mol 112 unq 0 iso 0 dist 9.17909 5.27499 9.75656 12.7594 12.9599 7.67238 numMergedOcc 0
2 mol 112 unq 1 iso 0 dist 9.37708 16.6573 9.75656 20.002 12.9599 7.67238 numMergedOcc 0
3 mol 135 unq 0 iso 0 dist 7.54797 10.6553 9.03598 9.13739 8.91766 7.17599 numMergedOcc 0
4 mol 141 unq 0 iso 0 dist 8.51265 13.1683 7.35385 15.4012 7.04886 9.27009 numMergedOcc 0
5 mol 141 unq 1 iso 0 dist 8.51265 9.00056 8.35864 13.7901 14.9912 6.65731 numMergedOcc 0
6 mol 184 unq 0 iso 0 dist 5.13722 4.84884 5.0207 9.07247 10.6375 7.58375 numMergedOcc 0
7 mol 192 unq 0 iso 0 dist 7.72242 6.75301 9.99783 13.2155 8.93457 9.8428 numMergedOcc 0
8 mol 193 unq 0 iso 0 dist 9.16852 5.35985 9.82224 8.28942 9.98298 8.15661 numMergedOcc 0
9 mol 193 unq 1 iso 0 dist 8.6538 9.89855 9.82224 14.975 9.98298 8.15661 numMergedOcc 0
10 mol 193 unq 2 iso 0 dist 5.19654 12.9817 9.82224 14.8267 9.98298 8.15661 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 7.14871 9.24673 9.28689 14.1278 9.15903 8.31721 numMergedOcc 0
12 mol 224 unq 0 iso 0 dist 9.92947 6.64902 9.42667 10.3854 7.57013 9.05276 numMergedOcc 0
13 mol 224 unq 1 iso 0 dist 7.46044 4.07416 6.48885 5.88041 3.56689 5.05368 numMergedOcc 0
14 mol 224 unq 2 iso 0 dist 8.68767 5.77278 9.42667 5.31916 7.57013 9.05276 numMergedOcc 0
15 mol 232 unq 0 iso 0 dist 7.33708 4.82887 6.23146 11.0222 11.433 6.59036 numMergedOcc 0
16 mol 232 unq 1 iso 0 dist 4.46314 8.15893 6.23146 11.8835 11.433 6.59036 numMergedOcc 0
17 mol 256 unq 0 iso 0 dist 8.11884 12.3321 7.40057 17.7492 11.2926 6.85663 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 8.17922 4.48276 8.30714 5.64169 12.0951 7.77765 numMergedOcc 0
19 mol 274 unq 1 iso 0 dist 8.17922 4.48276 8.30714 13.5288 16.7767 9.65868 numMergedOcc 0
20 mol 274 unq 2 iso 0 dist 8.16746 6.84952 9.02661 11.135 4.89003 8.60027 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 9.42812 13.008 5.92532 22.0372 13.3706 9.26157 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 8.76889 4.99186 8.16582 11.7311 4.62039 9.42255 numMergedOcc 0
23 mol 279 unq 1 iso 0 dist 7.04397 8.17282 8.16582 11.2559 4.62039 9.42255 numMergedOcc 0
