0 mol 7 unq 0 iso 0 dist 8.94874 8.36111 5.07985 13.8023 7.5298 12.1191 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.94874 5.99898 6.83196 13.8023 7.5298 11.8965 numMergedOcc 0
2 mol 102 unq 0 iso 0 dist 9.61113 8.24949 7.85919 12.0662 7.73836 13.986 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 9.37708 7.77418 5.96497 15.3111 9.17909 10.9702 numMergedOcc 0
4 mol 125 unq 0 iso 0 dist 6.6081 9.93888 6.06801 10.6764 9.64304 14.351 numMergedOcc 0
5 mol 142 unq 0 iso 0 dist 9.5355 5.90339 9.23267 10.9934 5.1557 11.6845 numMergedOcc 0
6 mol 193 unq 0 iso 0 dist 9.16852 8.28942 9.98298 8.50438 8.6538 14.975 numMergedOcc 0
7 mol 193 unq 1 iso 0 dist 9.16852 8.28942 9.98298 13.1729 5.19654 14.8267 numMergedOcc 0
8 mol 205 unq 0 iso 0 dist 8.21112 7.18098 11.3947 4.4482 7.06533 10.1621 numMergedOcc 0
9 mol 205 unq 1 iso 0 dist 8.21112 7.18098 11.3947 11.1418 5.94835 15.8017 numMergedOcc 0
10 mol 209 unq 0 iso 0 dist 7.757 9.73136 5.58598 6.11542 9.56015 11.5455 numMergedOcc 0
11 mol 211 unq 0 iso 0 dist 5.42004 8.83118 9.299 5.16245 9.63472 10.2963 numMergedOcc 0
12 mol 211 unq 1 iso 0 dist 5.42004 8.83118 9.299 9.68345 9.63103 17.3658 numMergedOcc 0
13 mol 211 unq 2 iso 0 dist 7.73993 8.83118 4.65967 5.16245 7.15386 10.2963 numMergedOcc 0
14 mol 211 unq 3 iso 0 dist 7.73993 8.83118 4.65967 8.05917 9.45365 11.5556 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 9.92947 5.88041 15.6142 5.639 8.68767 10.4825 numMergedOcc 0
16 mol 224 unq 1 iso 0 dist 8.68767 5.31916 7.57013 5.639 9.92947 10.3854 numMergedOcc 0
17 mol 260 unq 0 iso 0 dist 9.05149 9.68232 6.37501 10.3809 8.3298 12.5103 numMergedOcc 0
18 mol 260 unq 1 iso 0 dist 9.05149 8.29663 7.50166 10.3809 8.3298 10.9549 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 5.38704 9.00595 3.98545 6.61591 8.26695 10.651 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 5.38704 9.40401 7.5856 6.61591 8.26695 5.64169 numMergedOcc 0
21 mol 274 unq 2 iso 0 dist 8.05503 9.00595 6.26815 11.2805 7.59956 10.6975 numMergedOcc 0
22 mol 274 unq 3 iso 0 dist 8.05503 9.00595 6.26815 6.61591 5.59151 10.651 numMergedOcc 0
23 mol 274 unq 4 iso 0 dist 8.05503 9.40401 5.04738 11.2805 7.59956 12.4221 numMergedOcc 0
24 mol 274 unq 5 iso 0 dist 8.05503 9.40401 5.04738 6.61591 5.59151 5.64169 numMergedOcc 0
25 mol 274 unq 6 iso 0 dist 8.26695 5.64169 7.5856 6.61591 5.38704 9.40401 numMergedOcc 0
26 mol 274 unq 7 iso 0 dist 5.59151 5.64169 5.04738 10.1205 7.59956 12.4221 numMergedOcc 0
27 mol 274 unq 8 iso 0 dist 5.59151 5.64169 5.04738 6.61591 8.05503 9.40401 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 8.87355 9.44618 5.10922 7.00034 8.18179 11.929 numMergedOcc 0
29 mol 279 unq 1 iso 0 dist 8.87355 9.44618 5.10922 9.39866 9.51355 12.4645 numMergedOcc 0
