0 mol 11 unq 0 iso 0 dist 5.47299 5.19841 4.79838 12.9682 9.89425 9.58844 7.27588 6.83186 3.56133 12.0683 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 6.89752 5.20585 4.53565 9.11789 7.7927 8.48136 6.42565 5.37439 7.08546 4.10953 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 6.89752 5.20585 4.53565 9.11789 7.7927 8.48136 5.7824 8.3714 8.61607 5.70353 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 6.89752 5.20585 4.53565 9.11789 7.7927 8.48136 3.72746 6.36817 4.12075 11.246 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 6.89752 5.20585 4.53565 8.94949 6.17378 6.27695 6.42565 5.37439 7.08546 5.46483 numMergedOcc 0
5 mol 48 unq 4 iso 0 dist 6.89752 5.20585 4.53565 8.94949 6.17378 6.27695 5.7824 8.3714 8.61607 7.86518 numMergedOcc 0
6 mol 48 unq 5 iso 0 dist 6.89752 5.20585 4.53565 8.94949 6.17378 6.27695 3.72746 6.36817 4.12075 9.92075 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 8.67342 13.9882 5.61151 7.74857 4.29937 7.2898 4.8069 6.67137 10.803 3.65186 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 8.67342 13.9882 5.61151 7.74857 4.29937 7.2898 18.1303 9.78707 5.49707 12.2971 numMergedOcc 0
9 mol 85 unq 2 iso 0 dist 8.67342 13.9882 5.61151 10.4876 3.65628 4.13305 4.8069 6.67137 10.803 7.00044 numMergedOcc 0
10 mol 85 unq 3 iso 0 dist 8.67342 13.9882 5.61151 10.4876 3.65628 4.13305 18.1303 9.78707 5.49707 8.64367 numMergedOcc 0
11 mol 85 unq 4 iso 0 dist 8.67342 13.9882 5.61151 18.2213 9.77774 6.42723 4.8069 6.67137 10.803 16.1804 numMergedOcc 0
12 mol 85 unq 5 iso 0 dist 8.67342 13.9882 5.61151 18.2213 9.77774 6.42723 18.1303 9.78707 5.49707 3.21259 numMergedOcc 0
13 mol 85 unq 6 iso 0 dist 8.60062 13.9882 6.54289 7.74857 5.37869 7.2898 7.55572 9.09711 15.6048 11.8779 numMergedOcc 0
14 mol 85 unq 7 iso 0 dist 8.60062 13.9882 6.54289 7.74857 5.37869 7.2898 4.8069 7.04244 10.803 3.65186 numMergedOcc 0
15 mol 85 unq 8 iso 0 dist 8.60062 13.9882 6.54289 7.74857 5.37869 7.2898 11.1042 7.07839 11.6623 10.0372 numMergedOcc 0
16 mol 85 unq 9 iso 0 dist 8.60062 13.9882 6.54289 7.74857 5.37869 7.2898 10.9585 7.91193 13.4097 11.7094 numMergedOcc 0
17 mol 85 unq 10 iso 0 dist 8.60062 13.9882 6.54289 7.74857 5.37869 7.2898 18.1303 9.63449 5.49707 12.2971 numMergedOcc 0
18 mol 85 unq 11 iso 0 dist 8.60062 13.9882 6.54289 10.4876 4.05415 4.13305 7.55572 9.09711 15.6048 12.4835 numMergedOcc 0
19 mol 85 unq 12 iso 0 dist 8.60062 13.9882 6.54289 10.4876 4.05415 4.13305 4.8069 7.04244 10.803 7.00044 numMergedOcc 0
20 mol 85 unq 13 iso 0 dist 8.60062 13.9882 6.54289 10.4876 4.05415 4.13305 11.1042 7.07839 11.6623 8.78995 numMergedOcc 0
21 mol 85 unq 14 iso 0 dist 8.60062 13.9882 6.54289 10.4876 4.05415 4.13305 10.9585 7.91193 13.4097 10.7591 numMergedOcc 0
22 mol 85 unq 15 iso 0 dist 8.60062 13.9882 6.54289 10.4876 4.05415 4.13305 18.1303 9.63449 5.49707 8.64367 numMergedOcc 0
23 mol 85 unq 16 iso 0 dist 8.60062 13.9882 6.54289 18.2213 9.97944 6.42723 7.55572 9.09711 15.6048 17.9023 numMergedOcc 0
24 mol 85 unq 17 iso 0 dist 8.60062 13.9882 6.54289 18.2213 9.97944 6.42723 4.8069 7.04244 10.803 16.1804 numMergedOcc 0
25 mol 85 unq 18 iso 0 dist 8.60062 13.9882 6.54289 18.2213 9.97944 6.42723 10.9585 7.91193 13.4097 15.1209 numMergedOcc 0
26 mol 85 unq 19 iso 0 dist 8.60062 13.9882 6.54289 18.2213 9.97944 6.42723 11.1042 7.07839 11.6623 14.2664 numMergedOcc 0
27 mol 85 unq 20 iso 0 dist 8.60062 13.9882 6.54289 18.2213 9.97944 6.42723 18.1303 9.63449 5.49707 3.21259 numMergedOcc 0
28 mol 85 unq 21 iso 0 dist 8.60062 12.4238 7.52869 7.74857 5.37869 8.37735 7.55572 9.09711 11.6463 11.8779 numMergedOcc 0
29 mol 85 unq 22 iso 0 dist 8.60062 12.4238 7.52869 7.74857 5.37869 8.37735 4.8069 7.04244 9.46256 3.65186 numMergedOcc 0
30 mol 85 unq 23 iso 0 dist 8.60062 12.4238 7.52869 7.74857 5.37869 8.37735 11.1042 7.07839 4.86391 10.0372 numMergedOcc 0
31 mol 85 unq 24 iso 0 dist 8.60062 12.4238 7.52869 7.74857 5.37869 8.37735 18.1303 9.63449 11.3191 12.2971 numMergedOcc 0
32 mol 85 unq 25 iso 0 dist 8.60062 12.4238 7.52869 7.74857 5.37869 8.37735 10.9585 7.91193 8.06224 11.7094 numMergedOcc 0
33 mol 85 unq 26 iso 0 dist 8.60062 12.4238 7.52869 10.4876 4.05415 6.66973 7.55572 9.09711 11.6463 12.4835 numMergedOcc 0
34 mol 85 unq 27 iso 0 dist 8.60062 12.4238 7.52869 10.4876 4.05415 6.66973 4.8069 7.04244 9.46256 7.00044 numMergedOcc 0
35 mol 85 unq 28 iso 0 dist 8.60062 12.4238 7.52869 10.4876 4.05415 6.66973 11.1042 7.07839 4.86391 8.78995 numMergedOcc 0
36 mol 85 unq 29 iso 0 dist 8.60062 12.4238 7.52869 10.4876 4.05415 6.66973 18.1303 9.63449 11.3191 8.64367 numMergedOcc 0
37 mol 85 unq 30 iso 0 dist 8.60062 12.4238 7.52869 10.4876 4.05415 6.66973 10.9585 7.91193 8.06224 10.7591 numMergedOcc 0
38 mol 85 unq 31 iso 0 dist 8.60062 12.4238 7.52869 18.2213 9.97944 13.5088 7.55572 9.09711 11.6463 17.9023 numMergedOcc 0
39 mol 85 unq 32 iso 0 dist 8.60062 12.4238 7.52869 18.2213 9.97944 13.5088 4.8069 7.04244 9.46256 16.1804 numMergedOcc 0
40 mol 85 unq 33 iso 0 dist 8.60062 12.4238 7.52869 18.2213 9.97944 13.5088 11.1042 7.07839 4.86391 14.2664 numMergedOcc 0
41 mol 85 unq 34 iso 0 dist 8.60062 12.4238 7.52869 18.2213 9.97944 13.5088 18.1303 9.63449 11.3191 3.21259 numMergedOcc 0
42 mol 85 unq 35 iso 0 dist 8.60062 12.4238 7.52869 18.2213 9.97944 13.5088 10.9585 7.91193 8.06224 15.1209 numMergedOcc 0
43 mol 85 unq 36 iso 0 dist 8.60062 10.5359 9.18945 7.74857 5.37869 6.17924 7.55572 9.09711 13.1591 11.8779 numMergedOcc 0
44 mol 85 unq 37 iso 0 dist 8.60062 10.5359 9.18945 7.74857 5.37869 6.17924 4.8069 7.04244 6.34431 3.65186 numMergedOcc 0
45 mol 85 unq 38 iso 0 dist 8.60062 10.5359 9.18945 7.74857 5.37869 6.17924 11.1042 7.07839 9.18879 10.0372 numMergedOcc 0
46 mol 85 unq 39 iso 0 dist 8.60062 10.5359 9.18945 7.74857 5.37869 6.17924 18.1303 9.63449 14.7195 12.2971 numMergedOcc 0
47 mol 85 unq 40 iso 0 dist 8.60062 10.5359 9.18945 7.74857 5.37869 6.17924 10.9585 7.91193 11.8663 11.7094 numMergedOcc 0
48 mol 85 unq 41 iso 0 dist 8.60062 10.5359 9.18945 10.4876 4.05415 7.15173 7.55572 9.09711 13.1591 12.4835 numMergedOcc 0
49 mol 85 unq 42 iso 0 dist 8.60062 10.5359 9.18945 10.4876 4.05415 7.15173 4.8069 7.04244 6.34431 7.00044 numMergedOcc 0
50 mol 85 unq 43 iso 0 dist 8.60062 10.5359 9.18945 10.4876 4.05415 7.15173 11.1042 7.07839 9.18879 8.78995 numMergedOcc 0
51 mol 85 unq 44 iso 0 dist 8.60062 10.5359 9.18945 10.4876 4.05415 7.15173 18.1303 9.63449 14.7195 8.64367 numMergedOcc 0
52 mol 85 unq 45 iso 0 dist 8.60062 10.5359 9.18945 10.4876 4.05415 7.15173 10.9585 7.91193 11.8663 10.7591 numMergedOcc 0
53 mol 85 unq 46 iso 0 dist 8.60062 10.5359 9.18945 18.2213 9.97944 16.574 7.55572 9.09711 13.1591 17.9023 numMergedOcc 0
54 mol 85 unq 47 iso 0 dist 8.60062 10.5359 9.18945 18.2213 9.97944 16.574 4.8069 7.04244 6.34431 16.1804 numMergedOcc 0
55 mol 85 unq 48 iso 0 dist 8.60062 10.5359 9.18945 18.2213 9.97944 16.574 11.1042 7.07839 9.18879 14.2664 numMergedOcc 0
56 mol 85 unq 49 iso 0 dist 8.60062 10.5359 9.18945 18.2213 9.97944 16.574 18.1303 9.63449 14.7195 3.21259 numMergedOcc 0
57 mol 85 unq 50 iso 0 dist 8.60062 10.5359 9.18945 18.2213 9.97944 16.574 10.9585 7.91193 11.8663 15.1209 numMergedOcc 0
58 mol 85 unq 51 iso 0 dist 5.73739 10.1326 5.61151 9.36582 4.29937 7.2898 10.0178 6.67137 10.803 3.65186 numMergedOcc 0
59 mol 85 unq 52 iso 0 dist 5.73739 10.1326 5.61151 9.36582 4.29937 7.2898 12.1664 9.78707 5.49707 12.2971 numMergedOcc 0
60 mol 85 unq 53 iso 0 dist 5.73739 10.1326 5.61151 8.8983 3.65628 4.13305 10.0178 6.67137 10.803 7.00044 numMergedOcc 0
61 mol 85 unq 54 iso 0 dist 5.73739 10.1326 5.61151 8.8983 3.65628 4.13305 12.1664 9.78707 5.49707 8.64367 numMergedOcc 0
62 mol 85 unq 55 iso 0 dist 5.73739 10.1326 5.61151 11.1809 9.77774 6.42723 10.0178 6.67137 10.803 16.1804 numMergedOcc 0
63 mol 85 unq 56 iso 0 dist 5.73739 10.1326 5.61151 11.1809 9.77774 6.42723 12.1664 9.78707 5.49707 3.21259 numMergedOcc 0
64 mol 85 unq 57 iso 0 dist 5.16225 10.1326 6.54289 9.36582 5.37869 7.2898 8.41797 9.09711 15.6048 11.8779 numMergedOcc 0
65 mol 85 unq 58 iso 0 dist 5.16225 10.1326 6.54289 9.36582 5.37869 7.2898 10.0178 7.04244 10.803 3.65186 numMergedOcc 0
66 mol 85 unq 59 iso 0 dist 5.16225 10.1326 6.54289 9.36582 5.37869 7.2898 10.0529 7.07839 11.6623 10.0372 numMergedOcc 0
67 mol 85 unq 60 iso 0 dist 5.16225 10.1326 6.54289 9.36582 5.37869 7.2898 9.0874 7.91193 13.4097 11.7094 numMergedOcc 0
68 mol 85 unq 61 iso 0 dist 5.16225 10.1326 6.54289 9.36582 5.37869 7.2898 12.1664 9.63449 5.49707 12.2971 numMergedOcc 0
69 mol 85 unq 62 iso 0 dist 5.16225 10.1326 6.54289 8.8983 4.05415 4.13305 8.41797 9.09711 15.6048 12.4835 numMergedOcc 0
70 mol 85 unq 63 iso 0 dist 5.16225 10.1326 6.54289 8.8983 4.05415 4.13305 10.0178 7.04244 10.803 7.00044 numMergedOcc 0
71 mol 85 unq 64 iso 0 dist 5.16225 10.1326 6.54289 8.8983 4.05415 4.13305 10.0529 7.07839 11.6623 8.78995 numMergedOcc 0
72 mol 85 unq 65 iso 0 dist 5.16225 10.1326 6.54289 8.8983 4.05415 4.13305 9.0874 7.91193 13.4097 10.7591 numMergedOcc 0
73 mol 85 unq 66 iso 0 dist 5.16225 10.1326 6.54289 8.8983 4.05415 4.13305 12.1664 9.63449 5.49707 8.64367 numMergedOcc 0
74 mol 85 unq 67 iso 0 dist 5.16225 10.1326 6.54289 11.1809 9.97944 6.42723 8.41797 9.09711 15.6048 17.9023 numMergedOcc 0
75 mol 85 unq 68 iso 0 dist 5.16225 10.1326 6.54289 11.1809 9.97944 6.42723 10.0178 7.04244 10.803 16.1804 numMergedOcc 0
76 mol 85 unq 69 iso 0 dist 5.16225 10.1326 6.54289 11.1809 9.97944 6.42723 9.0874 7.91193 13.4097 15.1209 numMergedOcc 0
77 mol 85 unq 70 iso 0 dist 5.16225 10.1326 6.54289 11.1809 9.97944 6.42723 10.0529 7.07839 11.6623 14.2664 numMergedOcc 0
78 mol 85 unq 71 iso 0 dist 5.16225 10.1326 6.54289 11.1809 9.97944 6.42723 12.1664 9.63449 5.49707 3.21259 numMergedOcc 0
79 mol 85 unq 72 iso 0 dist 5.16225 12.2156 7.52869 9.36582 5.37869 8.37735 8.41797 9.09711 11.6463 11.8779 numMergedOcc 0
80 mol 85 unq 73 iso 0 dist 5.16225 12.2156 7.52869 9.36582 5.37869 8.37735 10.0178 7.04244 9.46256 3.65186 numMergedOcc 0
81 mol 85 unq 74 iso 0 dist 5.16225 12.2156 7.52869 9.36582 5.37869 8.37735 10.0529 7.07839 4.86391 10.0372 numMergedOcc 0
82 mol 85 unq 75 iso 0 dist 5.16225 12.2156 7.52869 9.36582 5.37869 8.37735 12.1664 9.63449 11.3191 12.2971 numMergedOcc 0
83 mol 85 unq 76 iso 0 dist 5.16225 12.2156 7.52869 9.36582 5.37869 8.37735 9.0874 7.91193 8.06224 11.7094 numMergedOcc 0
84 mol 85 unq 77 iso 0 dist 5.16225 12.2156 7.52869 8.8983 4.05415 6.66973 8.41797 9.09711 11.6463 12.4835 numMergedOcc 0
85 mol 85 unq 78 iso 0 dist 5.16225 12.2156 7.52869 8.8983 4.05415 6.66973 10.0178 7.04244 9.46256 7.00044 numMergedOcc 0
86 mol 85 unq 79 iso 0 dist 5.16225 12.2156 7.52869 8.8983 4.05415 6.66973 10.0529 7.07839 4.86391 8.78995 numMergedOcc 0
87 mol 85 unq 80 iso 0 dist 5.16225 12.2156 7.52869 8.8983 4.05415 6.66973 12.1664 9.63449 11.3191 8.64367 numMergedOcc 0
88 mol 85 unq 81 iso 0 dist 5.16225 12.2156 7.52869 8.8983 4.05415 6.66973 9.0874 7.91193 8.06224 10.7591 numMergedOcc 0
89 mol 85 unq 82 iso 0 dist 5.16225 12.2156 7.52869 11.1809 9.97944 13.5088 8.41797 9.09711 11.6463 17.9023 numMergedOcc 0
90 mol 85 unq 83 iso 0 dist 5.16225 12.2156 7.52869 11.1809 9.97944 13.5088 10.0178 7.04244 9.46256 16.1804 numMergedOcc 0
91 mol 85 unq 84 iso 0 dist 5.16225 12.2156 7.52869 11.1809 9.97944 13.5088 10.0529 7.07839 4.86391 14.2664 numMergedOcc 0
92 mol 85 unq 85 iso 0 dist 5.16225 12.2156 7.52869 11.1809 9.97944 13.5088 12.1664 9.63449 11.3191 3.21259 numMergedOcc 0
93 mol 85 unq 86 iso 0 dist 5.16225 12.2156 7.52869 11.1809 9.97944 13.5088 9.0874 7.91193 8.06224 15.1209 numMergedOcc 0
94 mol 85 unq 87 iso 0 dist 5.16225 13.9131 9.18945 9.36582 5.37869 6.17924 8.41797 9.09711 13.1591 11.8779 numMergedOcc 0
95 mol 85 unq 88 iso 0 dist 5.16225 13.9131 9.18945 9.36582 5.37869 6.17924 10.0178 7.04244 6.34431 3.65186 numMergedOcc 0
96 mol 85 unq 89 iso 0 dist 5.16225 13.9131 9.18945 9.36582 5.37869 6.17924 10.0529 7.07839 9.18879 10.0372 numMergedOcc 0
97 mol 85 unq 90 iso 0 dist 5.16225 13.9131 9.18945 9.36582 5.37869 6.17924 12.1664 9.63449 14.7195 12.2971 numMergedOcc 0
98 mol 85 unq 91 iso 0 dist 5.16225 13.9131 9.18945 9.36582 5.37869 6.17924 9.0874 7.91193 11.8663 11.7094 numMergedOcc 0
99 mol 85 unq 92 iso 0 dist 5.16225 13.9131 9.18945 8.8983 4.05415 7.15173 8.41797 9.09711 13.1591 12.4835 numMergedOcc 0
100 mol 85 unq 93 iso 0 dist 5.16225 13.9131 9.18945 8.8983 4.05415 7.15173 10.0178 7.04244 6.34431 7.00044 numMergedOcc 0
101 mol 85 unq 94 iso 0 dist 5.16225 13.9131 9.18945 8.8983 4.05415 7.15173 10.0529 7.07839 9.18879 8.78995 numMergedOcc 0
102 mol 85 unq 95 iso 0 dist 5.16225 13.9131 9.18945 8.8983 4.05415 7.15173 12.1664 9.63449 14.7195 8.64367 numMergedOcc 0
103 mol 85 unq 96 iso 0 dist 5.16225 13.9131 9.18945 8.8983 4.05415 7.15173 9.0874 7.91193 11.8663 10.7591 numMergedOcc 0
104 mol 85 unq 97 iso 0 dist 5.16225 13.9131 9.18945 11.1809 9.97944 16.574 8.41797 9.09711 13.1591 17.9023 numMergedOcc 0
105 mol 85 unq 98 iso 0 dist 5.16225 13.9131 9.18945 11.1809 9.97944 16.574 10.0178 7.04244 6.34431 16.1804 numMergedOcc 0
106 mol 85 unq 99 iso 0 dist 5.16225 13.9131 9.18945 11.1809 9.97944 16.574 10.0529 7.07839 9.18879 14.2664 numMergedOcc 0
107 mol 85 unq 100 iso 0 dist 5.16225 13.9131 9.18945 11.1809 9.97944 16.574 12.1664 9.63449 14.7195 3.21259 numMergedOcc 0
108 mol 85 unq 101 iso 0 dist 5.16225 13.9131 9.18945 11.1809 9.97944 16.574 9.0874 7.91193 11.8663 15.1209 numMergedOcc 0
109 mol 101 unq 0 iso 0 dist 7.33426 4.09052 8.35515 9.92742 9.33112 9.00107 9.71802 8.19144 11.7377 7.5541 numMergedOcc 0
110 mol 101 unq 1 iso 0 dist 8.17175 10.95 8.35515 3.73374 9.33112 9.00107 4.97717 8.19144 11.7377 7.5541 numMergedOcc 0
111 mol 254 unq 0 iso 0 dist 9.83135 9.57602 6.59989 7.03003 5.6417 5.91806 9.22906 7.85841 4.84855 8.8967 numMergedOcc 0
112 mol 254 unq 1 iso 0 dist 9.83135 9.57602 6.59989 7.03003 5.6417 5.91806 12.319 9.20109 5.67608 10.929 numMergedOcc 0
113 mol 254 unq 2 iso 0 dist 9.83135 9.57602 6.59989 9.54026 7.42831 5.04088 9.22906 7.85841 4.84855 9.42679 numMergedOcc 0
114 mol 254 unq 3 iso 0 dist 9.83135 9.57602 6.59989 9.54026 7.42831 5.04088 12.319 9.20109 5.67608 10.706 numMergedOcc 0
115 mol 260 unq 0 iso 0 dist 4.76164 9.42262 8.8385 14.0954 9.73217 12.2431 9.45061 8.62655 11.4575 15.6308 numMergedOcc 0
116 mol 260 unq 1 iso 0 dist 4.76164 9.42262 8.8385 4.58993 7.49606 12.1038 9.45061 8.62655 11.4575 7.35802 numMergedOcc 0
117 mol 260 unq 2 iso 0 dist 4.76164 9.42262 8.8385 3.69763 8.06377 9.42988 9.45061 8.62655 11.4575 10.4054 numMergedOcc 0
118 mol 266 unq 0 iso 0 dist 7.74133 4.5986 9.6721 15.5262 8.20376 17.5987 13.3554 6.96692 16.2268 3.68488 numMergedOcc 0
119 mol 266 unq 1 iso 0 dist 7.74133 4.5986 9.6721 15.5262 8.20376 17.5987 15.2892 8.25286 16.7453 3.14784 numMergedOcc 0
120 mol 266 unq 2 iso 0 dist 7.74133 4.5986 9.6721 15.5262 8.20376 17.5987 16.6916 9.9965 17.4207 5.95721 numMergedOcc 0
121 mol 287 unq 0 iso 0 dist 5.44942 9.9901 7.1388 6.71401 8.32982 6.79087 5.1451 6.24487 7.45064 5.55422 numMergedOcc 0
122 mol 287 unq 1 iso 0 dist 8.53689 9.62921 7.1388 4.06127 8.32982 6.79087 7.5241 6.24487 7.45064 5.55422 numMergedOcc 0
123 mol 287 unq 2 iso 0 dist 7.82157 9.74355 7.1388 10.5401 8.32982 6.79087 5.15725 6.24487 7.45064 5.55422 numMergedOcc 0
124 mol 288 unq 0 iso 0 dist 5.44942 9.9901 7.1388 6.71401 8.32982 6.79087 5.1451 6.24487 7.45064 5.55422 numMergedOcc 0
125 mol 288 unq 1 iso 0 dist 8.53689 9.62921 7.1388 4.06127 8.32982 6.79087 7.5241 6.24487 7.45064 5.55422 numMergedOcc 0
126 mol 288 unq 2 iso 0 dist 7.82157 9.74355 7.1388 10.5401 8.32982 6.79087 5.15725 6.24487 7.45064 5.55422 numMergedOcc 0
127 mol 289 unq 0 iso 0 dist 5.44942 9.9901 7.1388 6.71401 8.32982 6.79087 5.1451 6.24487 7.45064 5.55422 numMergedOcc 0
128 mol 289 unq 1 iso 0 dist 8.53689 9.62921 7.1388 4.06127 8.32982 6.79087 7.5241 6.24487 7.45064 5.55422 numMergedOcc 0
129 mol 289 unq 2 iso 0 dist 7.82157 9.74355 7.1388 10.5401 8.32982 6.79087 5.15725 6.24487 7.45064 5.55422 numMergedOcc 0
