0 mol 1 unq 0 iso 0 dist 7.68779 6.41817 11.8728 6.24156 12.7243 3.81243 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 7.68779 6.41817 11.8728 9.92098 7.4966 9.74153 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 9.41745 7.4036 10.9547 8.79013 8.10227 5.21734 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 7.0928 9.67946 4.3253 6.04822 5.03027 5.32445 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 7.0928 9.67946 4.3253 7.72717 8.17061 9.32247 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 9.61029 9.34599 10.797 7.54282 7.11305 5.29055 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 9.61029 6.32127 10.9837 7.54282 7.11305 4.76998 numMergedOcc 0
7 mol 27 unq 0 iso 0 dist 8.28463 6.75307 6.65855 9.21811 9.11842 10.8132 numMergedOcc 0
8 mol 27 unq 1 iso 0 dist 8.28463 7.24775 14.3929 9.21811 9.11842 13.4461 numMergedOcc 0
9 mol 36 unq 0 iso 0 dist 7.34019 7.11464 6.11846 6.1084 4.24251 8.96522 numMergedOcc 0
10 mol 36 unq 1 iso 0 dist 8.43828 7.11464 7.3917 6.1084 9.98403 8.96522 numMergedOcc 0
11 mol 44 unq 0 iso 0 dist 7.16036 9.52676 4.55437 6.86391 6.16718 10.5941 numMergedOcc 0
12 mol 46 unq 0 iso 0 dist 9.31319 6.19084 10.5906 9.72136 13.1434 5.8481 numMergedOcc 0
13 mol 46 unq 1 iso 0 dist 9.31319 6.19084 10.5906 4.61355 10.9054 4.07933 numMergedOcc 0
14 mol 46 unq 2 iso 0 dist 8.2513 6.19084 12.8683 9.72136 14.5035 5.8481 numMergedOcc 0
15 mol 46 unq 3 iso 0 dist 8.2513 6.19084 12.8683 4.61355 12.3186 4.07933 numMergedOcc 0
16 mol 68 unq 0 iso 0 dist 6.6606 8.14607 9.12845 4.88863 5.74372 3.85627 numMergedOcc 0
17 mol 103 unq 0 iso 0 dist 5.94478 9.61913 9.91049 9.43076 6.80028 5.32166 numMergedOcc 0
18 mol 123 unq 0 iso 0 dist 9.26057 9.47346 9.02568 6.70684 4.1335 7.17096 numMergedOcc 0
19 mol 125 unq 0 iso 0 dist 8.38646 8.6317 9.20086 9.69767 9.19101 10.0546 numMergedOcc 0
20 mol 148 unq 0 iso 0 dist 9.7168 9.92375 11.2659 9.8506 15.239 5.62734 numMergedOcc 0
21 mol 148 unq 1 iso 0 dist 7.38138 9.92375 4.99768 9.8506 8.68046 5.62734 numMergedOcc 0
22 mol 158 unq 0 iso 0 dist 8.1504 9.58371 7.49843 6.22696 4.63654 8.68377 numMergedOcc 0
23 mol 196 unq 0 iso 0 dist 6.64506 5.21339 9.09988 8.58805 6.29158 6.98225 numMergedOcc 0
24 mol 213 unq 0 iso 0 dist 9.40939 8.53661 8.47474 7.31478 11.7829 12.8131 numMergedOcc 0
25 mol 213 unq 1 iso 0 dist 9.06306 8.53661 15.1193 7.31478 4.72944 12.8131 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 8.3035 8.07237 7.8472 8.9694 8.48942 3.91276 numMergedOcc 0
27 mol 222 unq 0 iso 0 dist 8.92185 8.37652 6.37513 7.17095 6.12236 4.00869 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 9.29203 8.03226 10.3871 9.97859 16.7443 13.8857 numMergedOcc 0
29 mol 238 unq 1 iso 0 dist 7.62771 8.03226 6.54814 9.97859 13.1408 13.8857 numMergedOcc 0
30 mol 238 unq 2 iso 0 dist 7.80166 8.03226 14.388 9.97859 10.4706 13.8857 numMergedOcc 0
31 mol 250 unq 0 iso 0 dist 6.18342 9.5174 10.8792 9.41222 9.19059 6.40609 numMergedOcc 0
32 mol 282 unq 0 iso 0 dist 7.70229 5.94224 8.2662 9.07173 8.58259 4.10152 numMergedOcc 0
33 mol 282 unq 1 iso 0 dist 7.90792 5.94224 6.6348 9.07173 5.29852 4.10152 numMergedOcc 0
34 mol 287 unq 0 iso 0 dist 9.22576 9.52718 4.9628 7.74312 4.13216 5.97664 numMergedOcc 0
35 mol 288 unq 0 iso 0 dist 9.22576 9.52718 4.9628 7.74312 4.13216 5.97664 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 9.22576 9.52718 4.9628 7.74312 4.13216 5.97664 numMergedOcc 0
