0 mol 1 unq 0 iso 0 dist 5.65716 4.36042 8.26708 12.2921 8.31812 12.3378 5.21705 7.27254 6.27888 13.8848 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 5.65716 6.44928 6.09918 12.2921 8.31812 10.1354 5.21705 7.27254 4.50502 13.8848 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 9.93613 11.7623 9.78006 11.071 6.20227 10.6533 12.0088 7.05919 5.84314 5.48345 numMergedOcc 0
3 mol 20 unq 0 iso 0 dist 9.47968 12.6153 8.72023 8.3037 5.11883 4.9399 12.5088 8.25405 5.48225 6.83335 numMergedOcc 0
4 mol 158 unq 0 iso 0 dist 6.92225 9.86605 7.88319 5.9424 9.38045 12.9396 9.02669 6.11331 13.7172 8.62141 numMergedOcc 0
5 mol 159 unq 0 iso 0 dist 9.90625 10.6428 7.25742 4.44253 8.02691 7.44124 6.30259 6.07821 4.48323 3.29432 numMergedOcc 0
6 mol 194 unq 0 iso 0 dist 7.47107 10.2633 6.26839 9.86028 7.39369 11.1912 12.1522 5.53324 10.0756 6.8892 numMergedOcc 0
7 mol 194 unq 1 iso 0 dist 7.47107 10.2633 6.26839 9.86028 7.39369 11.1912 5.18485 6.72182 11.8031 6.26923 numMergedOcc 0
8 mol 194 unq 2 iso 0 dist 7.47107 9.36943 8.12346 9.86028 7.39369 6.11279 12.1522 5.53324 10.2793 6.8892 numMergedOcc 0
9 mol 194 unq 3 iso 0 dist 7.47107 9.36943 8.12346 9.86028 7.39369 6.11279 5.18485 6.72182 9.09233 6.26923 numMergedOcc 0
10 mol 194 unq 4 iso 0 dist 7.47107 7.72655 8.83356 9.86028 7.39369 9.99597 12.1522 5.53324 10.463 6.8892 numMergedOcc 0
11 mol 194 unq 5 iso 0 dist 7.47107 7.72655 8.83356 9.86028 7.39369 9.99597 5.18485 6.72182 4.66791 6.26923 numMergedOcc 0
12 mol 194 unq 6 iso 0 dist 7.47107 4.57265 8.2654 9.86028 7.39369 9.50345 12.1522 5.53324 12.8494 6.8892 numMergedOcc 0
13 mol 194 unq 7 iso 0 dist 7.47107 4.57265 8.2654 9.86028 7.39369 9.50345 5.18485 6.72182 7.73551 6.26923 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 8.28454 10.754 8.87609 16.1823 9.18343 11.7207 11.1052 9.87668 17.3148 18.0348 numMergedOcc 0
15 mol 225 unq 1 iso 0 dist 8.28454 10.754 8.87609 16.1823 9.18343 11.7207 3.60045 8.42121 13.3773 16.9616 numMergedOcc 0
16 mol 225 unq 2 iso 0 dist 8.28454 10.754 8.87609 16.1823 9.18343 11.7207 12.7272 7.8744 3.97158 9.03441 numMergedOcc 0
17 mol 225 unq 3 iso 0 dist 8.28454 10.754 8.87609 16.1823 9.18343 11.7207 10.6169 4.98402 9.9875 6.0078 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 8.12518 12.3465 8.38865 10.394 7.14633 6.21901 10.4658 5.28771 4.1511 3.31397 numMergedOcc 0
19 mol 227 unq 1 iso 0 dist 8.12518 12.3465 8.38865 12.4845 9.94302 13.798 10.4658 5.28771 4.1511 13.4488 numMergedOcc 0
20 mol 227 unq 2 iso 0 dist 8.12518 7.2593 5.4694 10.394 7.14633 6.29394 10.4658 5.28771 4.69247 3.31397 numMergedOcc 0
21 mol 227 unq 3 iso 0 dist 8.12518 7.2593 5.4694 12.4845 9.94302 10.9445 10.4658 5.28771 4.69247 13.4488 numMergedOcc 0
22 mol 251 unq 0 iso 0 dist 8.38382 8.64172 8.01198 3.43331 6.12282 7.703 10.909 6.42747 4.86046 9.65596 numMergedOcc 0
23 mol 252 unq 0 iso 0 dist 5.22349 8.32163 6.11473 4.28835 6.5058 7.15243 10.7358 9.39658 5.6214 11.1531 numMergedOcc 0
24 mol 252 unq 1 iso 0 dist 9.81593 8.32163 8.47784 4.28835 6.77555 7.15243 9.75376 8.19529 6.62402 6.14955 numMergedOcc 0
25 mol 252 unq 2 iso 0 dist 9.81593 8.32163 8.47784 4.28835 6.77555 7.15243 10.8474 6.45396 10.2463 6.57459 numMergedOcc 0
26 mol 252 unq 3 iso 0 dist 9.81593 10.6815 8.66469 4.28835 6.77555 7.18984 9.75376 8.19529 8.71281 6.14955 numMergedOcc 0
27 mol 252 unq 4 iso 0 dist 9.81593 10.6815 8.66469 4.28835 6.77555 7.18984 10.8474 6.45396 4.54582 6.57459 numMergedOcc 0
28 mol 252 unq 5 iso 0 dist 9.78248 16.5062 8.47784 13.9287 6.77555 7.15243 12.4311 8.19529 6.62402 6.14955 numMergedOcc 0
29 mol 252 unq 6 iso 0 dist 9.78248 16.5062 8.47784 13.9287 6.77555 7.15243 8.1205 6.45396 10.2463 6.57459 numMergedOcc 0
30 mol 252 unq 7 iso 0 dist 9.78248 9.67333 8.66469 13.9287 6.77555 7.18984 12.4311 8.19529 8.71281 6.14955 numMergedOcc 0
31 mol 252 unq 8 iso 0 dist 9.78248 9.67333 8.66469 13.9287 6.77555 7.18984 8.1205 6.45396 4.54582 6.57459 numMergedOcc 0
