0 mol 10 unq 0 iso 0 dist 9.88507 12.8824 9.43029 9.00506 7.8329 9.80612 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 9.17529 6.46361 7.60512 4.42115 5.59658 4.76781 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 9.17529 6.46361 7.60512 7.84822 7.94376 3.17053 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 6.02472 3.66253 5.43693 6.81182 5.53419 6.08836 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 5.33546 4.0291 7.43127 4.13187 6.86517 5.9297 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 9.76351 14.463 9.77084 4.15002 7.56495 11.5615 numMergedOcc 0
6 mol 79 unq 2 iso 0 dist 9.76351 14.463 9.77084 9.36535 7.63923 10.6375 numMergedOcc 0
7 mol 79 unq 3 iso 0 dist 9.76351 14.463 9.77084 9.33609 8.23095 5.57609 numMergedOcc 0
8 mol 79 unq 4 iso 0 dist 9.76351 13.9245 6.5551 4.15002 7.56495 10.2908 numMergedOcc 0
9 mol 79 unq 5 iso 0 dist 9.76351 13.9245 6.5551 9.36535 7.63923 7.19532 numMergedOcc 0
10 mol 79 unq 6 iso 0 dist 9.76351 13.9245 6.5551 9.33609 8.23095 8.58888 numMergedOcc 0
11 mol 83 unq 0 iso 0 dist 5.68212 8.85381 9.95355 4.48523 8.99451 6.187 numMergedOcc 0
12 mol 83 unq 1 iso 0 dist 5.68212 6.70737 9.69913 4.48523 8.99451 3.31218 numMergedOcc 0
13 mol 93 unq 0 iso 0 dist 9.52206 11.819 7.28831 11.0847 7.83506 13.1331 numMergedOcc 0
14 mol 93 unq 1 iso 0 dist 8.69945 4.85981 7.28831 15.9 7.83506 13.1331 numMergedOcc 0
15 mol 128 unq 0 iso 0 dist 8.73383 4.6853 9.59437 11.2088 7.4442 8.54267 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 9.75061 9.35007 7.75314 3.82317 7.84546 6.95147 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 8.81111 17.0137 9.27009 15.2238 8.40695 3.37046 numMergedOcc 0
18 mol 141 unq 1 iso 0 dist 8.81111 17.0137 9.27009 12.6506 9.35867 8.30017 numMergedOcc 0
19 mol 141 unq 2 iso 0 dist 5.66405 3.60945 6.65731 12.6506 9.38036 14.5559 numMergedOcc 0
20 mol 146 unq 0 iso 0 dist 6.47434 4.70365 9.23136 7.73553 6.73137 11.2635 numMergedOcc 0
21 mol 169 unq 0 iso 0 dist 5.82321 5.36315 6.0859 10.1931 7.85698 12.6492 numMergedOcc 0
22 mol 169 unq 1 iso 0 dist 5.82321 5.36315 6.0859 9.3331 8.75484 4.97137 numMergedOcc 0
23 mol 169 unq 2 iso 0 dist 5.82321 6.49048 6.05009 10.1931 7.85698 13.7198 numMergedOcc 0
24 mol 169 unq 3 iso 0 dist 5.82321 6.49048 6.05009 9.3331 8.75484 3.33711 numMergedOcc 0
25 mol 193 unq 0 iso 0 dist 9.16058 7.03555 8.15661 4.8988 9.9042 9.3899 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 5.82124 4.54444 5.31416 6.3474 5.05626 3.14057 numMergedOcc 0
27 mol 214 unq 1 iso 0 dist 5.82124 4.54444 5.31416 10.6456 8.41013 8.88633 numMergedOcc 0
28 mol 214 unq 2 iso 0 dist 5.82124 7.05353 5.44533 6.3474 5.05626 7.87816 numMergedOcc 0
29 mol 214 unq 3 iso 0 dist 5.82124 7.05353 5.44533 10.6456 8.41013 3.64285 numMergedOcc 0
30 mol 214 unq 4 iso 0 dist 8.31236 5.33718 5.31416 8.44414 5.05626 3.14057 numMergedOcc 0
31 mol 214 unq 5 iso 0 dist 8.31236 5.33718 5.31416 7.47595 8.41013 8.88633 numMergedOcc 0
32 mol 214 unq 6 iso 0 dist 8.31236 5.12324 5.44533 8.44414 5.05626 7.87816 numMergedOcc 0
33 mol 214 unq 7 iso 0 dist 8.31236 5.12324 5.44533 7.47595 8.41013 3.64285 numMergedOcc 0
34 mol 273 unq 0 iso 0 dist 9.16554 5.53908 7.85836 12.6217 9.81919 7.37764 numMergedOcc 0
35 mol 273 unq 1 iso 0 dist 9.16554 8.8839 6.35532 12.6217 9.81919 7.04946 numMergedOcc 0
36 mol 273 unq 2 iso 0 dist 9.65597 11.7146 7.85836 14.5301 9.81919 7.37764 numMergedOcc 0
37 mol 273 unq 3 iso 0 dist 9.65597 7.90253 6.35532 14.5301 9.81919 7.04946 numMergedOcc 0
38 mol 275 unq 0 iso 0 dist 7.01071 4.02257 9.91011 3.87632 5.74353 5.57469 numMergedOcc 0
39 mol 275 unq 1 iso 0 dist 7.01071 4.02257 9.91011 7.82789 9.68834 9.49731 numMergedOcc 0
40 mol 292 unq 0 iso 0 dist 9.5144 16.7232 8.6233 9.43183 9.373 11.0273 numMergedOcc 0
