0 mol 48 unq 0 iso 0 dist 7.02387 10.1271 6.5241 6.14049 5.54472 8.66712 13.8073 10.1674 8.22812 14.8981 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 7.02387 10.1271 6.5241 6.14049 5.54472 8.66712 11.5775 5.61785 4.22002 9.83205 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 7.02387 10.1271 6.5241 6.14049 5.54472 8.66712 13.7739 8.43495 5.77855 12.8664 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 7.02387 10.1271 6.5241 6.14049 5.54472 8.66712 13.1835 6.20957 8.10774 9.84914 numMergedOcc 0
4 mol 48 unq 4 iso 0 dist 7.02387 10.1271 6.5241 8.31625 8.62369 9.07711 13.8073 10.1674 8.22812 16.5858 numMergedOcc 0
5 mol 48 unq 5 iso 0 dist 7.02387 10.1271 6.5241 8.31625 8.62369 9.07711 11.5775 5.61785 4.22002 11.444 numMergedOcc 0
6 mol 48 unq 6 iso 0 dist 7.02387 10.1271 6.5241 8.31625 8.62369 9.07711 13.7739 8.43495 5.77855 14.2734 numMergedOcc 0
7 mol 48 unq 7 iso 0 dist 7.02387 10.1271 6.5241 8.31625 8.62369 9.07711 13.1835 6.20957 8.10774 11.9942 numMergedOcc 0
8 mol 48 unq 8 iso 0 dist 7.03832 5.59994 8.65524 7.78417 8.96151 6.87266 7.16443 5.62671 8.22812 4.22002 numMergedOcc 0
9 mol 48 unq 9 iso 0 dist 7.03832 5.59994 8.65524 5.47187 9.02535 4.62605 7.16443 5.62671 8.22812 5.77855 numMergedOcc 0
10 mol 48 unq 10 iso 0 dist 7.03832 7.78417 8.96151 5.59994 8.65524 6.87266 7.16443 5.62671 4.22002 8.22812 numMergedOcc 0
11 mol 48 unq 11 iso 0 dist 7.03832 7.78417 8.96151 5.47187 9.02535 3.23184 7.16443 5.62671 4.22002 5.77855 numMergedOcc 0
12 mol 48 unq 12 iso 0 dist 7.03832 5.47187 9.02535 5.59994 8.65524 4.62605 7.16443 5.62671 5.77855 8.22812 numMergedOcc 0
13 mol 48 unq 13 iso 0 dist 7.03832 5.47187 9.02535 7.78417 8.96151 3.23184 7.16443 5.62671 5.77855 4.22002 numMergedOcc 0
14 mol 48 unq 14 iso 0 dist 8.44353 5.67204 8.65524 4.28224 8.22812 5.62671 6.11249 6.87266 8.96151 4.22002 numMergedOcc 0
15 mol 48 unq 15 iso 0 dist 8.44353 5.67204 8.65524 4.28224 8.22812 5.62671 7.86326 4.62605 9.02535 5.77855 numMergedOcc 0
16 mol 48 unq 16 iso 0 dist 8.44353 4.28224 8.22812 5.67204 8.65524 5.62671 6.11249 6.87266 4.22002 8.96151 numMergedOcc 0
17 mol 48 unq 17 iso 0 dist 8.44353 4.28224 8.22812 5.67204 8.65524 5.62671 7.86326 4.62605 5.77855 9.02535 numMergedOcc 0
18 mol 48 unq 18 iso 0 dist 8.44353 4.28224 8.22812 5.67204 8.65524 5.62671 9.41827 10.9047 8.10774 13.4006 numMergedOcc 0
19 mol 48 unq 19 iso 0 dist 8.44353 4.28224 8.22812 5.67204 8.65524 5.62671 4.74786 10.1674 6.5241 10.2447 numMergedOcc 0
20 mol 48 unq 20 iso 0 dist 6.11249 5.67204 8.96151 4.28224 4.22002 5.62671 8.44353 6.87266 8.65524 8.22812 numMergedOcc 0
21 mol 48 unq 21 iso 0 dist 6.11249 5.67204 8.96151 4.28224 4.22002 5.62671 7.86326 3.23184 9.02535 5.77855 numMergedOcc 0
22 mol 48 unq 22 iso 0 dist 6.11249 4.28224 4.22002 5.67204 8.96151 5.62671 8.44353 6.87266 8.22812 8.65524 numMergedOcc 0
23 mol 48 unq 23 iso 0 dist 6.11249 4.28224 4.22002 5.67204 8.96151 5.62671 7.86326 3.23184 5.77855 9.02535 numMergedOcc 0
24 mol 48 unq 24 iso 0 dist 6.11249 4.28224 4.22002 5.67204 8.96151 5.62671 9.41827 4.78728 8.10774 13.4006 numMergedOcc 0
25 mol 48 unq 25 iso 0 dist 6.11249 4.28224 4.22002 5.67204 8.96151 5.62671 4.74786 5.61785 6.5241 10.2447 numMergedOcc 0
26 mol 48 unq 26 iso 0 dist 7.86326 5.67204 9.02535 4.28224 5.77855 5.62671 8.44353 4.62605 8.65524 8.22812 numMergedOcc 0
27 mol 48 unq 27 iso 0 dist 7.86326 5.67204 9.02535 4.28224 5.77855 5.62671 6.11249 3.23184 8.96151 4.22002 numMergedOcc 0
28 mol 48 unq 28 iso 0 dist 7.86326 4.28224 5.77855 5.67204 9.02535 5.62671 8.44353 4.62605 8.22812 8.65524 numMergedOcc 0
29 mol 48 unq 29 iso 0 dist 7.86326 4.28224 5.77855 5.67204 9.02535 5.62671 6.11249 3.23184 4.22002 8.96151 numMergedOcc 0
30 mol 48 unq 30 iso 0 dist 7.86326 4.28224 5.77855 5.67204 9.02535 5.62671 9.41827 7.18912 8.10774 13.4006 numMergedOcc 0
31 mol 48 unq 31 iso 0 dist 7.86326 4.28224 5.77855 5.67204 9.02535 5.62671 4.74786 8.43495 6.5241 10.2447 numMergedOcc 0
32 mol 48 unq 32 iso 0 dist 4.74786 4.28224 6.5241 7.13338 5.54472 8.66712 8.44353 10.1674 8.22812 14.8981 numMergedOcc 0
33 mol 48 unq 33 iso 0 dist 4.74786 4.28224 6.5241 7.13338 5.54472 8.66712 6.11249 5.61785 4.22002 9.83205 numMergedOcc 0
34 mol 48 unq 34 iso 0 dist 4.74786 4.28224 6.5241 7.13338 5.54472 8.66712 7.86326 8.43495 5.77855 12.8664 numMergedOcc 0
35 mol 48 unq 35 iso 0 dist 4.74786 4.28224 6.5241 7.13338 5.54472 8.66712 9.41827 6.20957 8.10774 9.84914 numMergedOcc 0
36 mol 48 unq 36 iso 0 dist 4.74786 4.28224 6.5241 8.64653 8.62369 9.07711 8.44353 10.1674 8.22812 16.5858 numMergedOcc 0
37 mol 48 unq 37 iso 0 dist 4.74786 4.28224 6.5241 8.64653 8.62369 9.07711 6.11249 5.61785 4.22002 11.444 numMergedOcc 0
38 mol 48 unq 38 iso 0 dist 4.74786 4.28224 6.5241 8.64653 8.62369 9.07711 7.86326 8.43495 5.77855 14.2734 numMergedOcc 0
39 mol 48 unq 39 iso 0 dist 4.74786 4.28224 6.5241 8.64653 8.62369 9.07711 9.41827 6.20957 8.10774 11.9942 numMergedOcc 0
40 mol 48 unq 40 iso 0 dist 7.16443 5.59994 8.22812 7.78417 4.22002 6.87266 7.03832 5.62671 8.65524 8.96151 numMergedOcc 0
41 mol 48 unq 41 iso 0 dist 7.16443 5.59994 8.22812 5.47187 5.77855 4.62605 7.03832 5.62671 8.65524 9.02535 numMergedOcc 0
42 mol 48 unq 42 iso 0 dist 7.16443 5.59994 8.22812 12.2824 8.10774 10.9047 7.03832 5.62671 8.65524 13.4006 numMergedOcc 0
43 mol 48 unq 43 iso 0 dist 7.16443 5.59994 8.22812 12.3016 6.5241 10.1674 7.03832 5.62671 8.65524 10.2447 numMergedOcc 0
44 mol 48 unq 44 iso 0 dist 7.16443 7.78417 4.22002 5.59994 8.22812 6.87266 7.03832 5.62671 8.96151 8.65524 numMergedOcc 0
45 mol 48 unq 45 iso 0 dist 7.16443 7.78417 4.22002 5.47187 5.77855 3.23184 7.03832 5.62671 8.96151 9.02535 numMergedOcc 0
46 mol 48 unq 46 iso 0 dist 7.16443 7.78417 4.22002 12.2824 8.10774 4.78728 7.03832 5.62671 8.96151 13.4006 numMergedOcc 0
47 mol 48 unq 47 iso 0 dist 7.16443 7.78417 4.22002 12.3016 6.5241 5.61785 7.03832 5.62671 8.96151 10.2447 numMergedOcc 0
48 mol 48 unq 48 iso 0 dist 7.16443 5.47187 5.77855 5.59994 8.22812 4.62605 7.03832 5.62671 9.02535 8.65524 numMergedOcc 0
49 mol 48 unq 49 iso 0 dist 7.16443 5.47187 5.77855 7.78417 4.22002 3.23184 7.03832 5.62671 9.02535 8.96151 numMergedOcc 0
50 mol 48 unq 50 iso 0 dist 7.16443 5.47187 5.77855 12.2824 8.10774 7.18912 7.03832 5.62671 9.02535 13.4006 numMergedOcc 0
51 mol 48 unq 51 iso 0 dist 7.16443 5.47187 5.77855 12.3016 6.5241 8.43495 7.03832 5.62671 9.02535 10.2447 numMergedOcc 0
52 mol 48 unq 52 iso 0 dist 7.16443 12.3016 6.5241 5.59994 8.22812 10.1674 15.6912 8.66712 5.54472 14.8981 numMergedOcc 0
53 mol 48 unq 53 iso 0 dist 7.16443 12.3016 6.5241 5.59994 8.22812 10.1674 16.0943 9.07711 8.62369 16.5858 numMergedOcc 0
54 mol 48 unq 54 iso 0 dist 7.16443 12.3016 6.5241 7.78417 4.22002 5.61785 15.6912 8.66712 5.54472 9.83205 numMergedOcc 0
55 mol 48 unq 55 iso 0 dist 7.16443 12.3016 6.5241 7.78417 4.22002 5.61785 16.0943 9.07711 8.62369 11.444 numMergedOcc 0
56 mol 48 unq 56 iso 0 dist 7.16443 12.3016 6.5241 5.47187 5.77855 8.43495 15.6912 8.66712 5.54472 12.8664 numMergedOcc 0
57 mol 48 unq 57 iso 0 dist 7.16443 12.3016 6.5241 5.47187 5.77855 8.43495 16.0943 9.07711 8.62369 14.2734 numMergedOcc 0
58 mol 48 unq 58 iso 0 dist 7.16443 12.3016 6.5241 12.2824 8.10774 6.20957 15.6912 8.66712 5.54472 9.84914 numMergedOcc 0
59 mol 48 unq 59 iso 0 dist 7.16443 12.3016 6.5241 12.2824 8.10774 6.20957 16.0943 9.07711 8.62369 11.9942 numMergedOcc 0
60 mol 48 unq 60 iso 0 dist 4.53565 4.12075 6.36817 7.08546 5.37439 8.61401 9.38938 6.29252 8.14245 9.29472 numMergedOcc 0
61 mol 48 unq 61 iso 0 dist 4.53565 4.12075 6.36817 7.08546 5.37439 8.61401 8.53722 9.94041 8.0812 14.7286 numMergedOcc 0
62 mol 48 unq 62 iso 0 dist 4.53565 4.12075 6.36817 7.08546 5.37439 8.61401 6.15814 5.553 4.17933 9.47823 numMergedOcc 0
63 mol 48 unq 63 iso 0 dist 4.53565 4.12075 6.36817 7.08546 5.37439 8.61401 7.70284 8.14415 5.54893 12.439 numMergedOcc 0
64 mol 48 unq 64 iso 0 dist 4.53565 4.12075 6.36817 8.61607 8.3714 9.16142 9.38938 6.29252 8.14245 11.3622 numMergedOcc 0
65 mol 48 unq 65 iso 0 dist 4.53565 4.12075 6.36817 8.61607 8.3714 9.16142 8.53722 9.94041 8.0812 16.5312 numMergedOcc 0
66 mol 48 unq 66 iso 0 dist 4.53565 4.12075 6.36817 8.61607 8.3714 9.16142 6.15814 5.553 4.17933 11.095 numMergedOcc 0
67 mol 48 unq 67 iso 0 dist 4.53565 4.12075 6.36817 8.61607 8.3714 9.16142 7.70284 8.14415 5.54893 13.9254 numMergedOcc 0
68 mol 48 unq 68 iso 0 dist 7.08628 12.2529 6.36817 12.2601 8.14245 6.29252 15.636 8.61401 5.37439 9.29472 numMergedOcc 0
69 mol 48 unq 69 iso 0 dist 7.08628 12.2529 6.36817 12.2601 8.14245 6.29252 16.1395 9.16142 8.3714 11.3622 numMergedOcc 0
70 mol 48 unq 70 iso 0 dist 7.08628 12.2529 6.36817 5.98272 8.0812 9.94041 15.636 8.61401 5.37439 14.7286 numMergedOcc 0
71 mol 48 unq 71 iso 0 dist 7.08628 12.2529 6.36817 5.98272 8.0812 9.94041 16.1395 9.16142 8.3714 16.5312 numMergedOcc 0
72 mol 48 unq 72 iso 0 dist 7.08628 12.2529 6.36817 7.83821 4.17933 5.553 15.636 8.61401 5.37439 9.47823 numMergedOcc 0
73 mol 48 unq 73 iso 0 dist 7.08628 12.2529 6.36817 7.83821 4.17933 5.553 16.1395 9.16142 8.3714 11.095 numMergedOcc 0
74 mol 48 unq 74 iso 0 dist 7.08628 12.2529 6.36817 5.51708 5.54893 8.14415 15.636 8.61401 5.37439 12.439 numMergedOcc 0
75 mol 48 unq 75 iso 0 dist 7.08628 12.2529 6.36817 5.51708 5.54893 8.14415 16.1395 9.16142 8.3714 13.9254 numMergedOcc 0
76 mol 79 unq 0 iso 0 dist 7.08462 4.35906 4.808 4.89844 6.20144 7.13643 7.90338 5.30569 4.15789 9.56766 numMergedOcc 0
77 mol 85 unq 0 iso 0 dist 5.61151 10.803 6.67137 5.49707 9.78707 15.509 6.54289 2.58673 7.04244 9.63449 numMergedOcc 0
78 mol 85 unq 1 iso 0 dist 5.61151 5.49707 9.78707 10.803 6.67137 15.509 6.54289 2.58673 9.63449 7.04244 numMergedOcc 0
79 mol 85 unq 2 iso 0 dist 6.54289 10.803 7.04244 11.6623 7.07839 10.1082 5.61151 2.58673 6.67137 9.52926 numMergedOcc 0
80 mol 85 unq 3 iso 0 dist 6.54289 10.803 7.04244 13.4097 7.91193 11.3346 5.61151 2.58673 6.67137 10.4386 numMergedOcc 0
81 mol 85 unq 4 iso 0 dist 6.54289 10.803 7.04244 15.6048 9.09711 10.1757 5.61151 2.58673 6.67137 10.9264 numMergedOcc 0
82 mol 85 unq 5 iso 0 dist 6.54289 10.803 7.04244 5.49707 9.63449 15.509 5.61151 2.58673 6.67137 9.78707 numMergedOcc 0
83 mol 85 unq 6 iso 0 dist 6.54289 5.49707 9.63449 11.6623 7.07839 12.8332 5.61151 2.58673 9.78707 9.52926 numMergedOcc 0
84 mol 85 unq 7 iso 0 dist 6.54289 5.49707 9.63449 10.803 7.04244 15.509 5.61151 2.58673 9.78707 6.67137 numMergedOcc 0
85 mol 85 unq 8 iso 0 dist 6.54289 5.49707 9.63449 15.6048 9.09711 17.7038 5.61151 2.58673 9.78707 10.9264 numMergedOcc 0
86 mol 85 unq 9 iso 0 dist 6.54289 5.49707 9.63449 13.4097 7.91193 14.2704 5.61151 2.58673 9.78707 10.4386 numMergedOcc 0
87 mol 85 unq 10 iso 0 dist 7.52869 9.46256 7.04244 4.86391 7.07839 10.1082 9.18895 2.58673 6.67137 9.52926 numMergedOcc 0
88 mol 85 unq 11 iso 0 dist 7.52869 9.46256 7.04244 8.06224 7.91193 11.3346 9.18895 2.58673 6.67137 10.4386 numMergedOcc 0
89 mol 85 unq 12 iso 0 dist 7.52869 9.46256 7.04244 11.3191 9.63449 15.509 9.18895 2.58673 6.67137 9.78707 numMergedOcc 0
90 mol 85 unq 13 iso 0 dist 7.52869 9.46256 7.04244 11.6463 9.09711 10.1757 9.18895 2.58673 6.67137 10.9264 numMergedOcc 0
91 mol 85 unq 14 iso 0 dist 7.52869 11.3191 9.63449 4.86391 7.07839 12.8332 9.18895 2.58673 9.78707 9.52926 numMergedOcc 0
92 mol 85 unq 15 iso 0 dist 7.52869 11.3191 9.63449 9.46256 7.04244 15.509 9.18895 2.58673 9.78707 6.67137 numMergedOcc 0
93 mol 85 unq 16 iso 0 dist 7.52869 11.3191 9.63449 8.06224 7.91193 14.2704 9.18895 2.58673 9.78707 10.4386 numMergedOcc 0
94 mol 85 unq 17 iso 0 dist 7.52869 11.3191 9.63449 11.6463 9.09711 17.7038 9.18895 2.58673 9.78707 10.9264 numMergedOcc 0
95 mol 85 unq 18 iso 0 dist 9.18945 6.34431 7.04244 9.18879 7.07839 10.1082 9.58605 2.58673 6.67137 9.52926 numMergedOcc 0
96 mol 85 unq 19 iso 0 dist 9.18945 6.34431 7.04244 11.8663 7.91193 11.3346 9.58605 2.58673 6.67137 10.4386 numMergedOcc 0
97 mol 85 unq 20 iso 0 dist 9.18945 6.34431 7.04244 14.7195 9.63449 15.509 9.58605 2.58673 6.67137 9.78707 numMergedOcc 0
98 mol 85 unq 21 iso 0 dist 9.18945 6.34431 7.04244 13.1591 9.09711 10.1757 9.58605 2.58673 6.67137 10.9264 numMergedOcc 0
99 mol 85 unq 22 iso 0 dist 9.18945 14.7195 9.63449 9.18879 7.07839 12.8332 9.58605 2.58673 9.78707 9.52926 numMergedOcc 0
100 mol 85 unq 23 iso 0 dist 9.18945 14.7195 9.63449 6.34431 7.04244 15.509 9.58605 2.58673 9.78707 6.67137 numMergedOcc 0
101 mol 85 unq 24 iso 0 dist 9.18945 14.7195 9.63449 11.8663 7.91193 14.2704 9.58605 2.58673 9.78707 10.4386 numMergedOcc 0
102 mol 85 unq 25 iso 0 dist 9.18945 14.7195 9.63449 13.1591 9.09711 17.7038 9.58605 2.58673 9.78707 10.9264 numMergedOcc 0
103 mol 113 unq 0 iso 0 dist 5.45882 5.09579 4.49669 5.46299 5.88896 2.75715 9.69937 5.7147 5.31126 7.16619 numMergedOcc 0
104 mol 113 unq 1 iso 0 dist 5.45882 5.09579 4.49669 5.46299 5.88896 2.75715 4.57487 3.74304 6.00221 7.84239 numMergedOcc 0
105 mol 113 unq 2 iso 0 dist 5.45882 5.46299 5.88896 5.09579 4.49669 2.75715 9.69937 5.7147 7.16619 5.31126 numMergedOcc 0
106 mol 123 unq 0 iso 0 dist 8.53618 14.0485 8.03692 4.43225 5.56127 10.2185 17.1707 8.77423 8.78115 13.5017 numMergedOcc 0
107 mol 123 unq 1 iso 0 dist 8.53618 14.0485 8.03692 8.58632 5.36214 13.0033 17.1707 8.77423 8.78115 12.1434 numMergedOcc 0
108 mol 204 unq 0 iso 0 dist 4.51124 6.68247 8.32259 7.51762 9.93489 2.95898 8.41517 8.59834 8.54737 7.64057 numMergedOcc 0
109 mol 204 unq 1 iso 0 dist 4.51124 7.51762 9.93489 6.68247 8.32259 2.95898 8.41517 8.59834 7.64057 8.54737 numMergedOcc 0
110 mol 204 unq 2 iso 0 dist 8.41517 6.68247 8.54737 7.51762 7.64057 2.95898 4.51124 8.59834 8.32259 9.93489 numMergedOcc 0
111 mol 204 unq 3 iso 0 dist 8.41517 7.51762 7.64057 6.68247 8.54737 2.95898 4.51124 8.59834 9.93489 8.32259 numMergedOcc 0
112 mol 204 unq 4 iso 0 dist 7.76863 3.99343 8.32259 11.4601 8.54737 8.59834 10.2353 2.95898 9.93489 7.64057 numMergedOcc 0
113 mol 204 unq 5 iso 0 dist 7.76863 11.4601 8.54737 3.99343 8.32259 8.59834 10.2353 2.95898 7.64057 9.93489 numMergedOcc 0
114 mol 214 unq 0 iso 0 dist 8.3107 11.4548 7.96338 3.92649 8.66082 10.5332 10.9638 2.86233 7.42759 10.7359 numMergedOcc 0
115 mol 214 unq 1 iso 0 dist 7.72298 6.05252 7.96338 4.00138 7.42759 2.86233 14.0046 10.5332 8.66082 10.7359 numMergedOcc 0
116 mol 266 unq 0 iso 0 dist 9.6721 16.7453 8.25286 16.2268 6.96692 5.76129 20.1477 11.938 7.8598 10.9313 numMergedOcc 0
117 mol 266 unq 1 iso 0 dist 9.6721 16.7453 8.25286 17.4207 9.9965 3.00605 20.1477 11.938 7.8598 7.80711 numMergedOcc 0
118 mol 266 unq 2 iso 0 dist 9.6721 17.4207 9.9965 16.2268 6.96692 8.75066 20.1477 11.938 7.80711 10.9313 numMergedOcc 0
119 mol 266 unq 3 iso 0 dist 9.6721 17.4207 9.9965 16.7453 8.25286 3.00605 20.1477 11.938 7.80711 7.8598 numMergedOcc 0
120 mol 277 unq 0 iso 0 dist 9.62597 6.51854 6.79748 13.6468 7.98956 13.9697 11.5874 3.75238 6.53598 11.2004 numMergedOcc 0
121 mol 277 unq 1 iso 0 dist 9.62597 6.51854 6.79748 13.3297 5.86185 12.1514 11.5874 3.75238 6.53598 8.41856 numMergedOcc 0
122 mol 281 unq 0 iso 0 dist 9.94612 6.83942 6.69267 14.4804 7.90368 12.7734 12.0277 3.77058 6.56886 9.46544 numMergedOcc 0
