0 mol 28 unq 0 iso 0 dist 5.32719 7.26052 7.28416 11.6018 7.40415 8.4285 6.77926 8.75468 4.55829 10.4406 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 5.32719 7.26052 7.28416 11.6018 7.40415 8.4285 3.85555 7.62989 5.13816 12.0524 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 5.32719 7.26052 7.28416 11.6018 7.40415 8.4285 7.50035 5.70238 7.07342 10.0581 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 7.03702 7.36654 7.28416 12.7227 7.40415 8.4285 9.63176 8.75468 4.55829 10.4406 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 7.03702 7.36654 7.28416 12.7227 7.40415 8.4285 5.94896 7.62989 5.13816 12.0524 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 7.03702 7.36654 7.28416 12.7227 7.40415 8.4285 3.92369 5.70238 7.07342 10.0581 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.39494 5.4527 8.03303 13.4867 7.62738 14.6243 3.95066 8.59337 6.28792 12.1293 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 8.39494 5.4527 8.03303 13.4867 7.62738 14.6243 6.09246 7.66942 4.4893 15.0139 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 9.27584 6.53819 8.00777 15.4112 8.70863 11.165 4.21164 5.72961 5.76272 11.5785 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 9.27584 9.9705 7.1589 15.4112 8.70863 9.29301 4.21164 5.72961 8.18948 11.5785 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 6.40964 9.40813 8.65802 5.04277 8.57827 13.534 4.51052 7.87729 10.3949 4.15826 numMergedOcc 0
11 mol 92 unq 1 iso 0 dist 6.40964 9.40813 8.65802 6.77665 7.94453 5.83515 4.51052 7.87729 10.3949 10.1482 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 8.16531 14.5206 9.81831 14.4018 7.62611 4.4022 11.064 6.46217 8.13232 6.4154 numMergedOcc 0
13 mol 93 unq 1 iso 0 dist 8.16531 10.2104 9.12858 14.4018 7.62611 8.96224 11.064 6.46217 9.79899 6.4154 numMergedOcc 0
14 mol 93 unq 2 iso 0 dist 8.16531 12.7325 9.4523 14.4018 7.62611 10.3849 11.064 6.46217 13.6379 6.4154 numMergedOcc 0
15 mol 93 unq 3 iso 0 dist 8.98593 10.145 9.81831 7.04959 7.62611 4.4022 4.45993 6.46217 8.13232 6.4154 numMergedOcc 0
16 mol 93 unq 4 iso 0 dist 8.98593 13.574 9.12858 7.04959 7.62611 8.96224 4.45993 6.46217 9.79899 6.4154 numMergedOcc 0
17 mol 93 unq 5 iso 0 dist 8.98593 16.236 9.4523 7.04959 7.62611 10.3849 4.45993 6.46217 13.6379 6.4154 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 8.71813 9.09837 8.67766 6.12935 6.76575 7.20706 4.37072 9.67274 10.8085 4.8632 numMergedOcc 0
19 mol 109 unq 1 iso 0 dist 8.71813 10.9676 8.0831 6.12935 6.76575 5.35728 4.37072 9.67274 10.1337 4.8632 numMergedOcc 0
20 mol 158 unq 0 iso 0 dist 6.64084 9.91097 7.88319 4.57581 6.76055 6.4079 12.7673 8.06621 6.60451 9.64397 numMergedOcc 0
21 mol 158 unq 1 iso 0 dist 6.64084 9.91097 7.88319 11.2833 9.36343 4.25067 12.7673 8.06621 6.60451 5.16839 numMergedOcc 0
22 mol 162 unq 0 iso 0 dist 8.6792 6.22059 6.20182 10.301 7.14263 4.20425 7.05221 9.56342 4.51281 6.17752 numMergedOcc 0
23 mol 162 unq 1 iso 0 dist 8.6792 6.22059 6.20182 4.05981 8.57005 6.07158 7.05221 9.56342 4.51281 8.7961 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 9.02096 13.6066 8.0154 8.56805 8.05247 6.29885 3.92978 7.6741 13.8965 10.297 numMergedOcc 0
25 mol 175 unq 1 iso 0 dist 9.02096 13.6066 8.0154 11.8728 9.71028 7.27408 3.92978 7.6741 13.8965 11.8094 numMergedOcc 0
26 mol 210 unq 0 iso 0 dist 5.6524 5.92474 7.63018 4.36112 5.57779 5.85636 7.85817 8.83523 11.6379 5.88175 numMergedOcc 0
27 mol 210 unq 1 iso 0 dist 5.6524 5.92474 7.63018 10.7545 7.05649 10.0337 7.85817 8.83523 11.6379 9.89707 numMergedOcc 0
28 mol 210 unq 2 iso 0 dist 5.6524 5.92474 7.63018 10.4519 6.78579 7.67559 7.85817 8.83523 11.6379 13.4242 numMergedOcc 0
29 mol 218 unq 0 iso 0 dist 5.8679 7.34507 8.86175 10.6737 9.32945 4.92618 10.7878 6.62738 9.9009 7.3057 numMergedOcc 0
30 mol 218 unq 1 iso 0 dist 5.8679 7.34507 8.86175 10.6737 9.32945 4.92618 9.19561 7.13254 11.0018 10.5867 numMergedOcc 0
31 mol 218 unq 2 iso 0 dist 5.8679 4.79566 6.29511 10.6737 9.32945 7.84019 10.7878 6.62738 10.3884 7.3057 numMergedOcc 0
32 mol 218 unq 3 iso 0 dist 5.8679 4.79566 6.29511 10.6737 9.32945 7.84019 9.19561 7.13254 11.2389 10.5867 numMergedOcc 0
33 mol 230 unq 0 iso 0 dist 6.86851 12.2372 6.41286 11.277 8.34416 6.33877 3.86973 6.31092 10.043 9.70239 numMergedOcc 0
34 mol 230 unq 1 iso 0 dist 6.86851 12.2372 6.41286 9.16476 6.34832 5.0515 3.86973 6.31092 10.043 6.2222 numMergedOcc 0
35 mol 230 unq 2 iso 0 dist 9.88392 9.33469 6.41286 6.41577 8.34416 6.33877 13.6216 6.31092 10.043 9.70239 numMergedOcc 0
36 mol 230 unq 3 iso 0 dist 9.88392 9.33469 6.41286 10.5257 6.34832 5.0515 13.6216 6.31092 10.043 6.2222 numMergedOcc 0
