0 mol 1 unq 0 iso 0 dist 5.65716 12.2921 8.31812 5.21705 7.27254 13.8848 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.93613 11.071 6.20227 12.0088 7.05919 5.48345 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 9.47968 8.3037 5.11883 12.5088 8.25405 6.83335 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 5.74389 5.52356 5.44028 4.62009 8.05514 5.69088 numMergedOcc 0
4 mol 74 unq 0 iso 0 dist 9.43699 6.05543 8.12551 8.38339 6.3567 5.54995 numMergedOcc 0
5 mol 74 unq 1 iso 0 dist 5.23115 10.8748 8.12551 8.14688 6.3567 5.54995 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 7.81334 12.0265 9.23985 10.4613 9.86664 5.06515 numMergedOcc 0
7 mol 158 unq 0 iso 0 dist 6.92225 5.9424 9.38045 9.02669 6.11331 8.62141 numMergedOcc 0
8 mol 159 unq 0 iso 0 dist 9.90625 4.44253 8.02691 6.30259 6.07821 3.29432 numMergedOcc 0
9 mol 162 unq 0 iso 0 dist 8.9822 6.91264 9.26529 3.72135 8.99227 3.54419 numMergedOcc 0
10 mol 194 unq 0 iso 0 dist 7.47107 9.86028 7.39369 12.1522 5.53324 6.8892 numMergedOcc 0
11 mol 194 unq 1 iso 0 dist 7.47107 9.86028 7.39369 5.18485 6.72182 6.26923 numMergedOcc 0
12 mol 225 unq 0 iso 0 dist 8.28454 16.1823 9.18343 11.1052 9.87668 18.0348 numMergedOcc 0
13 mol 225 unq 1 iso 0 dist 8.28454 16.1823 9.18343 3.60045 8.42121 16.9616 numMergedOcc 0
14 mol 225 unq 2 iso 0 dist 8.28454 16.1823 9.18343 12.7272 7.8744 9.03441 numMergedOcc 0
15 mol 225 unq 3 iso 0 dist 8.28454 16.1823 9.18343 10.6169 4.98402 6.0078 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 8.12518 10.394 7.14633 10.4658 5.28771 3.31397 numMergedOcc 0
17 mol 227 unq 1 iso 0 dist 8.12518 12.4845 9.94302 10.4658 5.28771 13.4488 numMergedOcc 0
18 mol 251 unq 0 iso 0 dist 8.38382 3.43331 6.12282 10.909 6.42747 9.65596 numMergedOcc 0
19 mol 252 unq 0 iso 0 dist 5.22349 4.28835 6.5058 10.7358 9.39658 11.1531 numMergedOcc 0
20 mol 252 unq 1 iso 0 dist 9.81593 4.28835 6.77555 9.75376 8.19529 6.14955 numMergedOcc 0
21 mol 252 unq 2 iso 0 dist 9.81593 4.28835 6.77555 10.8474 6.45396 6.57459 numMergedOcc 0
22 mol 252 unq 3 iso 0 dist 9.78248 13.9287 6.77555 12.4311 8.19529 6.14955 numMergedOcc 0
23 mol 252 unq 4 iso 0 dist 9.78248 13.9287 6.77555 8.1205 6.45396 6.57459 numMergedOcc 0
