0 mol 10 unq 0 iso 0 dist 9.6309 9.23414 3.3748 4.96625 8.76873 10.0775 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.6309 9.23414 3.3748 10.304 9.58981 11.2253 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 4.94198 8.44792 8.45469 3.97757 8.28764 12.0694 numMergedOcc 0
3 mol 10 unq 3 iso 0 dist 4.94198 9.62353 8.52733 3.97757 8.28764 9.41355 numMergedOcc 0
4 mol 10 unq 4 iso 0 dist 9.62353 8.44792 16.6607 3.97757 9.41355 12.0694 numMergedOcc 0
5 mol 10 unq 5 iso 0 dist 9.62353 4.94198 8.52733 3.97757 9.41355 8.28764 numMergedOcc 0
6 mol 10 unq 6 iso 0 dist 8.28764 9.41355 8.52733 3.97757 4.94198 9.62353 numMergedOcc 0
7 mol 10 unq 7 iso 0 dist 9.41355 8.28764 8.52733 3.97757 9.62353 4.94198 numMergedOcc 0
8 mol 20 unq 0 iso 0 dist 7.17695 9.33207 3.39356 3.92155 8.93826 11.8707 numMergedOcc 0
9 mol 78 unq 0 iso 0 dist 8.48827 7.14048 3.24688 3.93133 8.03895 5.68873 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 8.03895 5.68873 3.24688 3.93133 8.48827 7.14048 numMergedOcc 0
11 mol 78 unq 2 iso 0 dist 7.14048 8.48827 3.24688 3.93133 5.68873 8.03895 numMergedOcc 0
12 mol 78 unq 3 iso 0 dist 5.68873 8.03895 3.24688 3.93133 7.14048 8.48827 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 7.29864 7.7399 11.8229 12.0142 6.04223 15.7432 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 7.7399 7.29864 11.8229 6.46167 5.48163 12.9613 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 7.93106 9.05575 3.11116 9.44114 7.04904 5.06053 numMergedOcc 0
16 mol 129 unq 1 iso 0 dist 7.04904 5.06053 3.11116 9.44114 7.93106 9.05575 numMergedOcc 0
17 mol 129 unq 2 iso 0 dist 9.05575 7.93106 3.11116 9.44114 5.06053 7.04904 numMergedOcc 0
18 mol 129 unq 3 iso 0 dist 5.06053 7.04904 3.11116 9.44114 9.05575 7.93106 numMergedOcc 0
19 mol 180 unq 0 iso 0 dist 7.58661 6.53993 5.64829 5.33436 5.81023 8.4285 numMergedOcc 0
20 mol 180 unq 1 iso 0 dist 7.58661 6.53993 5.64829 6.10537 7.80553 8.39019 numMergedOcc 0
21 mol 180 unq 2 iso 0 dist 6.53993 7.58661 5.64829 5.33436 8.4285 5.81023 numMergedOcc 0
22 mol 180 unq 3 iso 0 dist 6.53993 7.58661 5.64829 6.10537 8.39019 7.80553 numMergedOcc 0
23 mol 180 unq 4 iso 0 dist 5.81023 8.4285 5.64829 5.33436 7.58661 6.53993 numMergedOcc 0
24 mol 180 unq 5 iso 0 dist 5.81023 8.4285 5.64829 3.984 7.80553 8.39019 numMergedOcc 0
25 mol 180 unq 6 iso 0 dist 8.4285 5.81023 5.64829 5.33436 6.53993 7.58661 numMergedOcc 0
26 mol 180 unq 7 iso 0 dist 8.4285 5.81023 5.64829 3.984 8.39019 7.80553 numMergedOcc 0
27 mol 180 unq 8 iso 0 dist 7.80553 8.39019 5.64829 6.10537 7.58661 6.53993 numMergedOcc 0
28 mol 180 unq 9 iso 0 dist 7.80553 8.39019 5.64829 3.984 5.81023 8.4285 numMergedOcc 0
29 mol 180 unq 10 iso 0 dist 8.39019 7.80553 5.64829 6.10537 6.53993 7.58661 numMergedOcc 0
30 mol 180 unq 11 iso 0 dist 8.39019 7.80553 5.64829 3.984 8.4285 5.81023 numMergedOcc 0
31 mol 183 unq 0 iso 0 dist 7.16035 6.2675 5.6959 3.75614 9.61725 9.52042 numMergedOcc 0
32 mol 183 unq 1 iso 0 dist 7.16035 6.2675 5.6959 9.96454 9.01531 10.5413 numMergedOcc 0
33 mol 183 unq 2 iso 0 dist 9.61725 9.52042 5.6959 3.75614 7.16035 6.2675 numMergedOcc 0
34 mol 183 unq 3 iso 0 dist 9.61725 9.52042 5.6959 12.8714 9.01531 10.5413 numMergedOcc 0
35 mol 183 unq 4 iso 0 dist 6.2675 7.16035 5.6959 3.75614 9.52042 9.61725 numMergedOcc 0
36 mol 183 unq 5 iso 0 dist 9.52042 9.61725 5.6959 3.75614 6.2675 7.16035 numMergedOcc 0
37 mol 204 unq 0 iso 0 dist 8.29256 7.8274 8.55398 3.78668 8.49554 10.5306 numMergedOcc 0
38 mol 232 unq 0 iso 0 dist 9.38205 8.32831 10.7706 4.19978 9.25334 10.8902 numMergedOcc 0
39 mol 232 unq 1 iso 0 dist 8.32831 9.38205 10.7706 15.8224 9.4726 19.3436 numMergedOcc 0
40 mol 232 unq 2 iso 0 dist 8.32831 9.38205 10.7706 5.14994 7.91213 11.6191 numMergedOcc 0
41 mol 232 unq 3 iso 0 dist 8.32831 9.38205 10.7706 10.8055 9.33969 13.8838 numMergedOcc 0
42 mol 232 unq 4 iso 0 dist 9.33969 7.64079 9.65274 9.9868 9.4726 13.793 numMergedOcc 0
43 mol 232 unq 5 iso 0 dist 9.33969 7.64079 9.65274 10.8055 8.32831 12.1958 numMergedOcc 0
44 mol 232 unq 6 iso 0 dist 9.33969 7.64079 9.65274 6.05049 7.91213 10.1029 numMergedOcc 0
45 mol 232 unq 7 iso 0 dist 7.64079 9.33969 9.65274 9.60695 8.54126 16.9144 numMergedOcc 0
46 mol 254 unq 0 iso 0 dist 9.09568 9.99168 2.67738 7.04018 7.84221 9.67383 numMergedOcc 0
47 mol 254 unq 1 iso 0 dist 9.99168 9.09568 2.67738 7.04018 9.67383 7.84221 numMergedOcc 0
48 mol 254 unq 2 iso 0 dist 7.84221 9.67383 2.67738 7.04018 9.09568 9.99168 numMergedOcc 0
49 mol 254 unq 3 iso 0 dist 9.67383 7.84221 2.67738 7.04018 9.99168 9.09568 numMergedOcc 0
50 mol 277 unq 0 iso 0 dist 8.72101 8.75619 3.75238 12.609 5.11998 5.79925 numMergedOcc 0
51 mol 277 unq 1 iso 0 dist 8.75619 8.72101 3.75238 12.609 5.79925 5.11998 numMergedOcc 0
52 mol 277 unq 2 iso 0 dist 8.75619 8.72101 3.75238 15.6996 8.55906 11.3414 numMergedOcc 0
53 mol 277 unq 3 iso 0 dist 8.75619 8.72101 3.75238 9.36807 5.55523 8.87837 numMergedOcc 0
54 mol 277 unq 4 iso 0 dist 5.11998 5.79925 3.75238 12.609 8.72101 8.75619 numMergedOcc 0
55 mol 277 unq 5 iso 0 dist 5.79925 5.11998 3.75238 12.609 8.75619 8.72101 numMergedOcc 0
56 mol 277 unq 6 iso 0 dist 5.79925 5.11998 3.75238 11.9501 8.55906 11.3414 numMergedOcc 0
57 mol 277 unq 7 iso 0 dist 5.79925 5.11998 3.75238 9.40918 5.55523 8.87837 numMergedOcc 0
58 mol 281 unq 0 iso 0 dist 4.29351 6.82918 3.77058 10.3921 9.13909 11.9913 numMergedOcc 0
59 mol 287 unq 0 iso 0 dist 7.35776 9.59195 4.68872 14.9131 8.71974 11.3164 numMergedOcc 0
60 mol 287 unq 1 iso 0 dist 7.35776 9.59195 4.68872 8.46742 8.82649 12.9568 numMergedOcc 0
61 mol 288 unq 0 iso 0 dist 7.35776 9.59195 4.68872 14.9131 8.71974 11.3164 numMergedOcc 0
62 mol 288 unq 1 iso 0 dist 7.35776 9.59195 4.68872 8.46742 8.82649 12.9568 numMergedOcc 0
63 mol 289 unq 0 iso 0 dist 7.35776 9.59195 4.68872 14.9131 8.71974 11.3164 numMergedOcc 0
64 mol 289 unq 1 iso 0 dist 7.35776 9.59195 4.68872 8.46742 8.82649 12.9568 numMergedOcc 0
