0 mol 9 unq 0 iso 0 dist 8.04924 6.21879 6.20227 3.91075 7.05919 5.48345 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.42581 13.1887 5.81836 5.11733 7.90721 12.1179 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.80104 6.29218 5.44028 11.8533 8.05514 5.69088 numMergedOcc 0
3 mol 74 unq 0 iso 0 dist 4.79413 9.7556 8.12551 5.38404 6.3567 5.54995 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.69209 9.08973 9.23985 5.55865 9.86664 5.06515 numMergedOcc 0
5 mol 107 unq 0 iso 0 dist 8.13921 4.91158 6.93417 3.60392 6.61727 6.54199 numMergedOcc 0
6 mol 107 unq 1 iso 0 dist 8.13921 6.01678 5.9385 3.60392 6.61727 3.39698 numMergedOcc 0
7 mol 158 unq 0 iso 0 dist 6.39981 6.39711 9.38045 9.88872 6.11331 8.62141 numMergedOcc 0
8 mol 159 unq 0 iso 0 dist 7.13269 7.15698 8.02691 4.27525 6.07821 3.29432 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 5.73148 10.2914 7.75632 11.9654 9.13027 3.36092 numMergedOcc 0
10 mol 182 unq 0 iso 0 dist 8.89822 3.88566 6.03308 6.81586 7.88014 4.22802 numMergedOcc 0
11 mol 194 unq 0 iso 0 dist 9.77862 8.35231 7.39369 8.31541 5.53324 6.8892 numMergedOcc 0
12 mol 194 unq 1 iso 0 dist 9.77862 8.35231 7.39369 6.72001 6.72182 6.26923 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 9.83885 4.13682 9.85415 13.4094 7.53395 14.7129 numMergedOcc 0
14 mol 205 unq 1 iso 0 dist 9.83885 10.0576 5.96238 13.4094 7.53395 5.19623 numMergedOcc 0
15 mol 205 unq 2 iso 0 dist 9.83885 15.5169 8.24405 13.4094 7.53395 3.45124 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 7.95883 5.317 7.87985 5.65395 9.22269 4.01876 numMergedOcc 0
17 mol 225 unq 1 iso 0 dist 7.29542 13.6736 9.18343 13.317 9.87668 18.0348 numMergedOcc 0
18 mol 225 unq 2 iso 0 dist 7.29542 13.6736 9.18343 10.43 8.42121 16.9616 numMergedOcc 0
19 mol 225 unq 3 iso 0 dist 7.29542 13.6736 9.18343 6.24324 7.8744 9.03441 numMergedOcc 0
20 mol 225 unq 4 iso 0 dist 7.29542 13.6736 9.18343 10.7885 4.98402 6.0078 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 9.20589 8.85098 7.14633 9.08701 5.28771 3.31397 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 9.20589 13.7364 9.94302 9.08701 5.28771 13.4488 numMergedOcc 0
23 mol 227 unq 2 iso 0 dist 7.89801 13.8875 7.14633 12.0749 5.28771 3.31397 numMergedOcc 0
24 mol 227 unq 3 iso 0 dist 7.89801 5.45009 9.94302 12.0749 5.28771 13.4488 numMergedOcc 0
25 mol 252 unq 0 iso 0 dist 6.57207 4.17197 6.5058 9.43777 9.39658 11.1531 numMergedOcc 0
26 mol 252 unq 1 iso 0 dist 5.2361 4.17197 6.77555 4.21466 8.19529 6.14955 numMergedOcc 0
27 mol 252 unq 2 iso 0 dist 5.2361 4.17197 6.77555 6.19861 6.45396 6.57459 numMergedOcc 0
28 mol 252 unq 3 iso 0 dist 5.57515 9.43565 6.77555 11.9287 8.19529 6.14955 numMergedOcc 0
29 mol 252 unq 4 iso 0 dist 5.57515 9.43565 6.77555 7.84988 6.45396 6.57459 numMergedOcc 0
30 mol 252 unq 5 iso 0 dist 8.28694 10.6687 6.77555 11.5083 8.19529 6.14955 numMergedOcc 0
31 mol 252 unq 6 iso 0 dist 8.28694 10.6687 6.77555 6.38319 6.45396 6.57459 numMergedOcc 0
32 mol 272 unq 0 iso 0 dist 6.98048 4.86323 9.28899 12.7895 9.30437 11.6874 numMergedOcc 0
