0 mol 9 unq 0 iso 0 dist 9.93613 9.03359 8.04924 11.071 6.20227 6.21879 12.0088 7.05919 3.91075 5.48345 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 5.74389 10.492 8.80104 5.52356 5.44028 6.29218 4.62009 8.05514 11.8533 5.69088 numMergedOcc 0
2 mol 74 unq 0 iso 0 dist 9.43699 10.1834 4.79413 6.05543 8.12551 9.7556 8.38339 6.3567 5.38404 5.54995 numMergedOcc 0
3 mol 74 unq 1 iso 0 dist 5.23115 3.94075 4.79413 10.8748 8.12551 9.7556 8.14688 6.3567 5.38404 5.54995 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 7.81334 5.72925 8.69209 12.0265 9.23985 9.08973 10.4613 9.86664 5.55865 5.06515 numMergedOcc 0
5 mol 158 unq 0 iso 0 dist 6.92225 5.49464 6.39981 5.9424 9.38045 6.39711 9.02669 6.11331 9.88872 8.62141 numMergedOcc 0
6 mol 159 unq 0 iso 0 dist 9.90625 8.34466 7.13269 4.44253 8.02691 7.15698 6.30259 6.07821 4.27525 3.29432 numMergedOcc 0
7 mol 194 unq 0 iso 0 dist 7.47107 11.5684 9.77862 9.86028 7.39369 8.35231 12.1522 5.53324 8.31541 6.8892 numMergedOcc 0
8 mol 194 unq 1 iso 0 dist 7.47107 11.5684 9.77862 9.86028 7.39369 8.35231 5.18485 6.72182 6.72001 6.26923 numMergedOcc 0
9 mol 225 unq 0 iso 0 dist 8.28454 8.59036 7.29542 16.1823 9.18343 13.6736 11.1052 9.87668 13.317 18.0348 numMergedOcc 0
10 mol 225 unq 1 iso 0 dist 8.28454 8.59036 7.29542 16.1823 9.18343 13.6736 3.60045 8.42121 10.43 16.9616 numMergedOcc 0
11 mol 225 unq 2 iso 0 dist 8.28454 8.59036 7.29542 16.1823 9.18343 13.6736 12.7272 7.8744 6.24324 9.03441 numMergedOcc 0
12 mol 225 unq 3 iso 0 dist 8.28454 8.59036 7.29542 16.1823 9.18343 13.6736 10.6169 4.98402 10.7885 6.0078 numMergedOcc 0
13 mol 227 unq 0 iso 0 dist 8.12518 4.71182 9.20589 10.394 7.14633 8.85098 10.4658 5.28771 9.08701 3.31397 numMergedOcc 0
14 mol 227 unq 1 iso 0 dist 8.12518 4.71182 9.20589 12.4845 9.94302 13.7364 10.4658 5.28771 9.08701 13.4488 numMergedOcc 0
15 mol 227 unq 2 iso 0 dist 8.12518 7.51342 7.89801 10.394 7.14633 13.8875 10.4658 5.28771 12.0749 3.31397 numMergedOcc 0
16 mol 227 unq 3 iso 0 dist 8.12518 7.51342 7.89801 12.4845 9.94302 5.45009 10.4658 5.28771 12.0749 13.4488 numMergedOcc 0
17 mol 252 unq 0 iso 0 dist 5.22349 7.31906 6.57207 4.28835 6.5058 4.17197 10.7358 9.39658 9.43777 11.1531 numMergedOcc 0
18 mol 252 unq 1 iso 0 dist 9.81593 7.31906 5.2361 4.28835 6.77555 4.17197 9.75376 8.19529 4.21466 6.14955 numMergedOcc 0
19 mol 252 unq 2 iso 0 dist 9.81593 7.31906 5.2361 4.28835 6.77555 4.17197 10.8474 6.45396 6.19861 6.57459 numMergedOcc 0
20 mol 252 unq 3 iso 0 dist 9.81593 12.2338 5.57515 4.28835 6.77555 9.43565 9.75376 8.19529 11.9287 6.14955 numMergedOcc 0
21 mol 252 unq 4 iso 0 dist 9.81593 12.2338 5.57515 4.28835 6.77555 9.43565 10.8474 6.45396 7.84988 6.57459 numMergedOcc 0
22 mol 252 unq 5 iso 0 dist 9.81593 14.2535 8.28694 4.28835 6.77555 10.6687 9.75376 8.19529 11.5083 6.14955 numMergedOcc 0
23 mol 252 unq 6 iso 0 dist 9.81593 14.2535 8.28694 4.28835 6.77555 10.6687 10.8474 6.45396 6.38319 6.57459 numMergedOcc 0
24 mol 252 unq 7 iso 0 dist 9.78248 12.8039 5.2361 13.9287 6.77555 4.17197 12.4311 8.19529 4.21466 6.14955 numMergedOcc 0
25 mol 252 unq 8 iso 0 dist 9.78248 12.8039 5.2361 13.9287 6.77555 4.17197 8.1205 6.45396 6.19861 6.57459 numMergedOcc 0
26 mol 252 unq 9 iso 0 dist 9.78248 8.32839 5.57515 13.9287 6.77555 9.43565 12.4311 8.19529 11.9287 6.14955 numMergedOcc 0
27 mol 252 unq 10 iso 0 dist 9.78248 8.32839 5.57515 13.9287 6.77555 9.43565 8.1205 6.45396 7.84988 6.57459 numMergedOcc 0
28 mol 252 unq 11 iso 0 dist 9.78248 5.63228 8.28694 13.9287 6.77555 10.6687 12.4311 8.19529 11.5083 6.14955 numMergedOcc 0
29 mol 252 unq 12 iso 0 dist 9.78248 5.63228 8.28694 13.9287 6.77555 10.6687 8.1205 6.45396 6.38319 6.57459 numMergedOcc 0
