0 mol 0 unq 0 iso 0 dist 9.42137 11.6896 9.6994 7.65884 9.23213 5.08793 8.60656 7.40865 9.11323 9.30151 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.42137 11.6896 9.6994 12.7756 8.81979 5.63197 8.60656 7.40865 9.11323 6.11501 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 9.42137 14.5258 7.15528 7.65884 9.23213 10.4498 8.60656 7.40865 9.46298 9.30151 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 9.42137 14.5258 7.15528 12.7756 8.81979 5.52201 8.60656 7.40865 9.46298 6.11501 numMergedOcc 0
4 mol 8 unq 0 iso 0 dist 7.46102 8.25051 8.96553 4.81384 8.33604 8.27181 10.4489 8.53529 4.36226 11.4716 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 6.35048 9.83618 10.4442 7.13085 8.95682 6.18002 4.54282 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 6.35048 9.83618 9.49077 7.13085 8.95682 8.38399 4.54282 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 5.97635 10.7219 9.5589 8.98505 5.02241 6.91765 11.5332 7.21717 15.293 11.0681 numMergedOcc 0
8 mol 54 unq 1 iso 0 dist 5.97635 6.76462 6.83299 8.98505 5.02241 5.06052 11.5332 7.21717 13.86 11.0681 numMergedOcc 0
9 mol 54 unq 2 iso 0 dist 5.97635 13.2619 8.10861 8.98505 5.02241 10.1332 11.5332 7.21717 5.99981 11.0681 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 6.36193 5.40367 6.62496 6.05206 9.64665 4.67832 4.37642 5.93884 5.78774 5.27642 numMergedOcc 0
11 mol 58 unq 1 iso 0 dist 4.88613 5.40367 6.35756 9.80755 8.89374 6.47744 4.37642 7.68678 5.78774 12.0055 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 8.3164 11.5656 8.69985 5.49138 5.87358 9.46098 4.81814 7.80523 7.74599 6.89298 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 7.81337 11.4498 6.85062 6.25099 6.91348 6.19596 4.34786 8.70296 14.2045 9.93183 numMergedOcc 0
14 mol 131 unq 1 iso 0 dist 7.81337 11.4498 6.85062 6.25099 6.91348 6.19596 11.6607 9.25558 5.09131 5.90177 numMergedOcc 0
15 mol 131 unq 2 iso 0 dist 7.81337 11.4498 6.85062 14.8295 9.51418 6.6499 4.34786 8.70296 14.2045 16.5048 numMergedOcc 0
16 mol 131 unq 3 iso 0 dist 7.81337 11.4498 6.85062 14.8295 9.51418 6.6499 11.6607 9.25558 5.09131 5.70899 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 11.14 7.98142 9.53462 6.78739 5.94469 7.77758 8.93991 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 9.84952 4.3158 7.81386 10.9006 7.37327 11.1462 6.78739 5.94469 7.77758 5.35588 numMergedOcc 0
19 mol 181 unq 2 iso 0 dist 9.84952 12.9554 7.63312 11.14 7.98142 9.60512 6.78739 5.94469 12.5387 8.93991 numMergedOcc 0
20 mol 181 unq 3 iso 0 dist 9.84952 12.9554 7.63312 10.9006 7.37327 13.3389 6.78739 5.94469 12.5387 5.35588 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 5.96555 4.6995 6.03031 12.5517 9.19704 8.66809 3.99238 6.03688 8.15057 14.6029 numMergedOcc 0
22 mol 205 unq 1 iso 0 dist 5.96555 10.7091 7.26832 12.5517 9.19704 6.23291 3.99238 6.03688 12.4957 14.6029 numMergedOcc 0
23 mol 205 unq 2 iso 0 dist 5.96555 5.87892 7.80463 12.5517 9.19704 13.231 3.99238 6.03688 6.09749 14.6029 numMergedOcc 0
24 mol 222 unq 0 iso 0 dist 9.55777 6.54251 8.01589 5.78005 6.82208 4.8892 12.979 7.67576 10.3151 7.39748 numMergedOcc 0
25 mol 222 unq 1 iso 0 dist 9.55777 6.54251 8.01589 5.78005 6.82208 4.8892 4.05539 9.82371 8.52017 5.08928 numMergedOcc 0
26 mol 222 unq 2 iso 0 dist 9.55777 15.3892 7.7699 5.78005 6.82208 11.0074 12.979 7.67576 7.81022 7.39748 numMergedOcc 0
27 mol 222 unq 3 iso 0 dist 9.55777 15.3892 7.7699 5.78005 6.82208 11.0074 4.05539 9.82371 15.7504 5.08928 numMergedOcc 0
28 mol 222 unq 4 iso 0 dist 9.55777 16.4881 7.21333 5.78005 6.82208 12.2813 12.979 7.67576 7.75656 7.39748 numMergedOcc 0
29 mol 222 unq 5 iso 0 dist 9.55777 16.4881 7.21333 5.78005 6.82208 12.2813 4.05539 9.82371 16.0949 5.08928 numMergedOcc 0
30 mol 234 unq 0 iso 0 dist 7.46434 13.0285 8.41436 4.21173 6.16063 11.3297 6.06471 6.30154 7.44558 5.70413 numMergedOcc 0
31 mol 234 unq 1 iso 0 dist 7.46434 13.0285 8.41436 4.21173 6.16063 11.3297 11.1213 7.32499 10.7902 7.17691 numMergedOcc 0
32 mol 234 unq 2 iso 0 dist 7.46434 13.9912 8.92474 4.21173 6.16063 10.2563 6.06471 6.30154 10.9712 5.70413 numMergedOcc 0
33 mol 234 unq 3 iso 0 dist 7.46434 13.9912 8.92474 4.21173 6.16063 10.2563 11.1213 7.32499 4.4288 7.17691 numMergedOcc 0
34 mol 234 unq 4 iso 0 dist 7.50424 6.88707 8.41436 13.0543 6.16063 11.3297 11.2248 6.30154 7.44558 5.70413 numMergedOcc 0
35 mol 234 unq 5 iso 0 dist 7.50424 6.88707 8.41436 13.0543 6.16063 11.3297 10.6488 7.32499 10.7902 7.17691 numMergedOcc 0
36 mol 234 unq 6 iso 0 dist 7.50424 8.96936 8.92474 13.0543 6.16063 10.2563 11.2248 6.30154 10.9712 5.70413 numMergedOcc 0
37 mol 234 unq 7 iso 0 dist 7.50424 8.96936 8.92474 13.0543 6.16063 10.2563 10.6488 7.32499 4.4288 7.17691 numMergedOcc 0
38 mol 235 unq 0 iso 0 dist 9.11256 6.84447 5.4638 14.9183 9.58736 9.66021 3.93066 9.55668 7.60081 13.128 numMergedOcc 0
39 mol 235 unq 1 iso 0 dist 7.08539 7.38431 5.4638 4.28284 9.58736 9.66021 13.0408 9.55668 7.60081 13.128 numMergedOcc 0
40 mol 249 unq 0 iso 0 dist 6.37672 9.07501 7.57994 10.4294 8.83735 5.23473 4.20164 5.48118 10.7772 10.639 numMergedOcc 0
41 mol 249 unq 1 iso 0 dist 6.37672 4.24014 6.18582 10.4294 8.83735 7.38675 4.20164 5.48118 7.04666 10.639 numMergedOcc 0
42 mol 249 unq 2 iso 0 dist 8.94023 9.53929 7.57994 9.10124 8.83735 5.23473 5.93404 5.48118 10.7772 10.639 numMergedOcc 0
43 mol 249 unq 3 iso 0 dist 8.94023 5.36989 6.18582 9.10124 8.83735 7.38675 5.93404 5.48118 7.04666 10.639 numMergedOcc 0
44 mol 264 unq 0 iso 0 dist 8.43858 10.2215 9.361 12.5468 9.0012 9.74238 4.29482 7.16853 11.1431 9.76317 numMergedOcc 0
45 mol 264 unq 1 iso 0 dist 8.43858 10.2215 9.361 15.8008 9.5784 9.85579 4.29482 7.16853 11.1431 13.9064 numMergedOcc 0
46 mol 264 unq 2 iso 0 dist 8.43858 8.55312 6.24356 12.5468 9.0012 5.12409 4.29482 7.16853 5.00209 9.76317 numMergedOcc 0
47 mol 264 unq 3 iso 0 dist 8.43858 8.55312 6.24356 15.8008 9.5784 9.67998 4.29482 7.16853 5.00209 13.9064 numMergedOcc 0
