0 mol 72 unq 0 iso 0 dist 7.58875 5.82742 8.80645 9.52749 4.86472 9.25711 numMergedOcc 0
1 mol 72 unq 1 iso 0 dist 7.58875 5.82742 8.80645 6.91169 4.85556 8.39955 numMergedOcc 0
2 mol 72 unq 2 iso 0 dist 9.52749 5.82742 9.25711 7.58875 4.86472 8.80645 numMergedOcc 0
3 mol 72 unq 3 iso 0 dist 9.52749 5.82742 9.25711 6.91169 3.44489 8.39955 numMergedOcc 0
4 mol 72 unq 4 iso 0 dist 6.91169 5.82742 8.39955 7.58875 4.85556 8.80645 numMergedOcc 0
5 mol 72 unq 5 iso 0 dist 6.91169 5.82742 8.39955 9.52749 3.44489 9.25711 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 9.77084 5.84075 9.04293 6.5551 6.48468 4.78333 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 8.02443 6.07693 8.18375 11.5917 7.11515 7.92114 numMergedOcc 0
8 mol 79 unq 2 iso 0 dist 9.09458 5.25584 8.18375 11.3093 7.11515 7.92114 numMergedOcc 0
9 mol 79 unq 3 iso 0 dist 6.5551 5.84075 4.78333 9.77084 6.48468 9.04293 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 5.05893 5.22259 4.29937 5.71866 3.78063 3.65628 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 5.05893 5.22259 4.29937 11.3323 13.0538 9.77774 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 5.05893 7.66499 5.37869 5.71866 3.78063 4.05415 numMergedOcc 0
13 mol 85 unq 3 iso 0 dist 5.05893 7.66499 5.37869 11.3323 13.0538 9.97944 numMergedOcc 0
14 mol 85 unq 4 iso 0 dist 5.71866 5.22259 3.65628 5.05893 3.78063 4.29937 numMergedOcc 0
15 mol 85 unq 5 iso 0 dist 5.71866 5.22259 3.65628 11.3323 9.79029 9.77774 numMergedOcc 0
16 mol 85 unq 6 iso 0 dist 5.71866 7.66499 4.05415 5.05893 3.78063 5.37869 numMergedOcc 0
17 mol 85 unq 7 iso 0 dist 5.71866 7.66499 4.05415 11.3323 9.79029 9.97944 numMergedOcc 0
18 mol 93 unq 0 iso 0 dist 9.19977 15.6931 8.28591 14.2126 5.21654 5.35008 numMergedOcc 0
19 mol 93 unq 1 iso 0 dist 9.19977 15.6931 8.28591 20.7659 13.3531 8.30921 numMergedOcc 0
20 mol 93 unq 2 iso 0 dist 9.19977 14.8662 9.40687 14.2126 5.21654 8.84576 numMergedOcc 0
21 mol 93 unq 3 iso 0 dist 9.19977 14.8662 9.40687 20.7659 13.3531 7.39732 numMergedOcc 0
22 mol 93 unq 4 iso 0 dist 7.28831 13.5809 8.28591 11.6193 5.21654 5.35008 numMergedOcc 0
23 mol 93 unq 5 iso 0 dist 7.28831 13.5809 8.28591 19.8987 13.3531 8.30921 numMergedOcc 0
24 mol 93 unq 6 iso 0 dist 7.28831 14.149 9.40687 11.6193 5.21654 8.84576 numMergedOcc 0
25 mol 93 unq 7 iso 0 dist 7.28831 14.149 9.40687 19.8987 13.3531 7.39732 numMergedOcc 0
26 mol 93 unq 8 iso 0 dist 9.71411 10.6039 8.28591 12.2183 5.21654 5.35008 numMergedOcc 0
27 mol 93 unq 9 iso 0 dist 9.71411 10.6039 8.28591 11.9145 13.3531 8.30921 numMergedOcc 0
28 mol 93 unq 10 iso 0 dist 9.71411 6.48338 9.40687 12.2183 5.21654 8.84576 numMergedOcc 0
29 mol 93 unq 11 iso 0 dist 9.71411 6.48338 9.40687 11.9145 13.3531 7.39732 numMergedOcc 0
30 mol 107 unq 0 iso 0 dist 5.33764 8.49625 6.49371 11.6742 7.4799 5.31375 numMergedOcc 0
31 mol 134 unq 0 iso 0 dist 7.83568 14.5488 6.76852 12.0743 4.87973 4.94473 numMergedOcc 0
32 mol 162 unq 0 iso 0 dist 8.33407 8.40035 8.33649 11.6618 3.77838 8.91326 numMergedOcc 0
33 mol 168 unq 0 iso 0 dist 9.85438 7.27069 7.0961 9.42807 13.6611 8.21227 numMergedOcc 0
34 mol 168 unq 1 iso 0 dist 9.85438 7.27069 7.0961 12.214 12.3632 6.53038 numMergedOcc 0
35 mol 168 unq 2 iso 0 dist 9.42807 7.27069 8.21227 9.85438 13.6611 7.0961 numMergedOcc 0
36 mol 168 unq 3 iso 0 dist 9.42807 7.27069 8.21227 12.214 11.4215 6.53038 numMergedOcc 0
37 mol 169 unq 0 iso 0 dist 6.0859 5.68902 9.06172 6.05009 3.71099 8.93091 numMergedOcc 0
38 mol 169 unq 1 iso 0 dist 9.15283 3.83687 9.06172 9.68143 3.71099 8.93091 numMergedOcc 0
39 mol 169 unq 2 iso 0 dist 6.05009 5.68902 8.93091 6.0859 3.71099 9.06172 numMergedOcc 0
40 mol 194 unq 0 iso 0 dist 4.19371 3.7326 4.45769 9.71015 6.41254 8.99961 numMergedOcc 0
41 mol 194 unq 1 iso 0 dist 4.19371 7.29209 5.89939 9.71015 6.41254 8.18853 numMergedOcc 0
42 mol 194 unq 2 iso 0 dist 9.71015 3.7326 8.99961 4.19371 6.41254 4.45769 numMergedOcc 0
43 mol 194 unq 3 iso 0 dist 9.71015 7.29209 8.18853 4.19371 6.41254 5.89939 numMergedOcc 0
44 mol 214 unq 0 iso 0 dist 5.31416 6.28944 9.59928 5.44533 5.97842 7.70062 numMergedOcc 0
45 mol 214 unq 1 iso 0 dist 5.44533 6.28944 7.70062 5.31416 5.97842 9.59928 numMergedOcc 0
46 mol 260 unq 0 iso 0 dist 9.31888 7.28821 7.49606 12.6653 17.1683 9.73217 numMergedOcc 0
47 mol 260 unq 1 iso 0 dist 9.31888 7.28821 7.49606 12.9444 5.12515 8.06377 numMergedOcc 0
