0 mol 6 unq 0 iso 0 dist 8.46873 9.12796 6.37317 6.1462 6.24927 4.09396 numMergedOcc 0
1 mol 6 unq 0 iso 1 dist 8.46873 6.1462 6.24927 9.12796 6.37317 4.09396 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 9.99955 5.9021 14.5243 8.98466 5.3482 12.3127 numMergedOcc 0
3 mol 12 unq 0 iso 1 dist 9.99955 8.98466 5.3482 5.9021 14.5243 12.3127 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 6.8824 9.3147 5.83115 9.79426 13.3381 17.1338 numMergedOcc 0
5 mol 19 unq 0 iso 1 dist 6.8824 9.79426 13.3381 9.3147 5.83115 17.1338 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 8.33492 9.3147 15.1867 9.79426 6.1852 17.1338 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 8.33492 9.79426 6.1852 9.3147 15.1867 17.1338 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 9.65989 8.36915 5.70853 6.01454 11.7008 8.29103 numMergedOcc 0
9 mol 48 unq 0 iso 1 dist 9.65989 6.01454 11.7008 8.36915 5.70853 8.29103 numMergedOcc 0
10 mol 48 unq 1 iso 0 dist 8.66272 8.36915 4.8908 6.01454 5.82846 8.29103 numMergedOcc 0
11 mol 48 unq 1 iso 1 dist 8.66272 6.01454 5.82846 8.36915 4.8908 8.29103 numMergedOcc 0
12 mol 83 unq 0 iso 0 dist 9.12443 8.57795 6.47661 7.37989 4.24161 6.05123 numMergedOcc 0
13 mol 83 unq 0 iso 1 dist 9.12443 7.37989 4.24161 8.57795 6.47661 6.05123 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 7.4963 7.96689 7.52391 4.83134 11.7196 8.94234 numMergedOcc 0
15 mol 133 unq 0 iso 1 dist 7.4963 4.83134 11.7196 7.96689 7.52391 8.94234 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 7.74278 7.96689 7.72261 4.83134 4.27464 8.94234 numMergedOcc 0
17 mol 133 unq 1 iso 1 dist 7.74278 4.83134 4.27464 7.96689 7.72261 8.94234 numMergedOcc 0
18 mol 133 unq 2 iso 0 dist 8.54607 9.6582 7.72261 5.17734 4.27464 8.94234 numMergedOcc 0
19 mol 133 unq 2 iso 1 dist 8.54607 5.17734 4.27464 9.6582 7.72261 8.94234 numMergedOcc 0
20 mol 133 unq 3 iso 0 dist 8.08807 7.96689 13.0543 4.83134 8.08082 8.94234 numMergedOcc 0
21 mol 133 unq 3 iso 1 dist 8.08807 4.83134 8.08082 7.96689 13.0543 8.94234 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 9.30469 8.6609 16.4886 6.21546 10.7476 6.77498 numMergedOcc 0
23 mol 175 unq 0 iso 1 dist 9.30469 6.21546 10.7476 8.6609 16.4886 6.77498 numMergedOcc 0
24 mol 175 unq 1 iso 0 dist 9.30469 8.6609 16.4886 6.03184 4.81365 12.0951 numMergedOcc 0
25 mol 175 unq 1 iso 1 dist 9.30469 6.03184 4.81365 8.6609 16.4886 12.0951 numMergedOcc 0
26 mol 175 unq 1 iso 0 dist 9.30469 6.21546 10.7476 6.03184 4.81365 7.01839 numMergedOcc 0
27 mol 175 unq 1 iso 1 dist 9.30469 6.03184 4.81365 6.21546 10.7476 7.01839 numMergedOcc 0
28 mol 199 unq 0 iso 0 dist 7.12685 9.88917 7.36816 9.56785 7.14318 10.3162 numMergedOcc 0
29 mol 199 unq 0 iso 1 dist 7.12685 9.56785 7.14318 9.88917 7.36816 10.3162 numMergedOcc 0
30 mol 206 unq 0 iso 0 dist 8.21649 4.51269 7.54538 7.65323 4.85877 7.34999 numMergedOcc 0
31 mol 206 unq 0 iso 1 dist 8.21649 7.65323 4.85877 4.51269 7.54538 7.34999 numMergedOcc 0
32 mol 210 unq 0 iso 0 dist 7.52542 6.24111 6.24537 8.60412 6.20582 9.07869 numMergedOcc 0
33 mol 210 unq 0 iso 1 dist 7.52542 8.60412 6.20582 6.24111 6.24537 9.07869 numMergedOcc 0
34 mol 210 unq 1 iso 0 dist 9.58979 9.00343 6.24537 7.05535 6.20582 9.07869 numMergedOcc 0
35 mol 210 unq 1 iso 1 dist 9.58979 7.05535 6.20582 9.00343 6.24537 9.07869 numMergedOcc 0
36 mol 211 unq 0 iso 0 dist 6.70983 9.8921 5.63202 8.50841 6.61974 8.59334 numMergedOcc 0
37 mol 211 unq 0 iso 1 dist 6.70983 8.50841 6.61974 9.8921 5.63202 8.59334 numMergedOcc 0
38 mol 223 unq 0 iso 0 dist 9.03969 9.29204 12.1037 9.14789 14.841 4.44825 numMergedOcc 0
39 mol 223 unq 0 iso 1 dist 9.03969 9.14789 14.841 9.29204 12.1037 4.44825 numMergedOcc 0
40 mol 223 unq 1 iso 0 dist 9.03969 9.29204 12.1037 7.80764 11.4317 16.0208 numMergedOcc 0
41 mol 223 unq 1 iso 1 dist 9.03969 7.80764 11.4317 9.29204 12.1037 16.0208 numMergedOcc 0
42 mol 223 unq 2 iso 0 dist 9.03969 9.29204 12.1037 5.75896 4.44076 11.898 numMergedOcc 0
43 mol 223 unq 2 iso 1 dist 9.03969 5.75896 4.44076 9.29204 12.1037 11.898 numMergedOcc 0
44 mol 223 unq 1 iso 0 dist 9.03969 9.14789 14.841 7.80764 11.4317 16.2327 numMergedOcc 0
45 mol 223 unq 1 iso 1 dist 9.03969 7.80764 11.4317 9.14789 14.841 16.2327 numMergedOcc 0
46 mol 223 unq 2 iso 0 dist 9.03969 9.14789 14.841 5.75896 4.44076 13.5741 numMergedOcc 0
47 mol 223 unq 2 iso 1 dist 9.03969 5.75896 4.44076 9.14789 14.841 13.5741 numMergedOcc 0
48 mol 223 unq 2 iso 0 dist 9.03969 7.80764 11.4317 5.75896 4.44076 7.12929 numMergedOcc 0
49 mol 223 unq 2 iso 1 dist 9.03969 5.75896 4.44076 7.80764 11.4317 7.12929 numMergedOcc 0
50 mol 241 unq 0 iso 0 dist 7.16899 7.41298 4.76856 9.99337 11.0792 6.59047 numMergedOcc 0
51 mol 241 unq 0 iso 1 dist 7.16899 9.99337 11.0792 7.41298 4.76856 6.59047 numMergedOcc 0
52 mol 241 unq 1 iso 0 dist 9.27693 7.41298 5.37459 9.99337 5.02153 6.59047 numMergedOcc 0
53 mol 241 unq 1 iso 1 dist 9.27693 9.99337 5.02153 7.41298 5.37459 6.59047 numMergedOcc 0
54 mol 254 unq 0 iso 0 dist 9.62779 7.53352 9.73538 7.80793 8.88569 5.93819 numMergedOcc 0
55 mol 254 unq 0 iso 1 dist 9.62779 7.80793 8.88569 7.53352 9.73538 5.93819 numMergedOcc 0
56 mol 254 unq 1 iso 0 dist 8.8044 7.53352 14.2144 7.80793 11.6112 5.93819 numMergedOcc 0
57 mol 254 unq 1 iso 1 dist 8.8044 7.80793 11.6112 7.53352 14.2144 5.93819 numMergedOcc 0
58 mol 259 unq 0 iso 0 dist 8.06955 8.91916 13.2664 4.55368 9.68677 4.70261 numMergedOcc 0
59 mol 259 unq 0 iso 1 dist 8.06955 4.55368 9.68677 8.91916 13.2664 4.70261 numMergedOcc 0
60 mol 279 unq 0 iso 0 dist 7.06381 9.98985 9.69939 7.22295 12.0301 8.47795 numMergedOcc 0
61 mol 279 unq 0 iso 1 dist 7.06381 7.22295 12.0301 9.98985 9.69939 8.47795 numMergedOcc 0
62 mol 283 unq 0 iso 0 dist 8.92124 8.3815 5.13525 7.13925 8.75145 11.1685 numMergedOcc 0
63 mol 283 unq 0 iso 1 dist 8.92124 7.13925 8.75145 8.3815 5.13525 11.1685 numMergedOcc 0
64 mol 285 unq 0 iso 0 dist 5.77742 8.70702 8.85097 9.43706 5.8429 14.1636 numMergedOcc 0
65 mol 285 unq 0 iso 1 dist 5.77742 9.43706 5.8429 8.70702 8.85097 14.1636 numMergedOcc 0
66 mol 285 unq 1 iso 0 dist 5.77742 8.70702 8.85097 9.3482 14.6314 14.0317 numMergedOcc 0
67 mol 285 unq 1 iso 1 dist 5.77742 9.3482 14.6314 8.70702 8.85097 14.0317 numMergedOcc 0
68 mol 285 unq 1 iso 0 dist 5.77742 9.43706 5.8429 9.3482 14.6314 16.6298 numMergedOcc 0
69 mol 285 unq 1 iso 1 dist 5.77742 9.3482 14.6314 9.43706 5.8429 16.6298 numMergedOcc 0
