0 mol 1 unq 0 iso 0 dist 9.44115 9.99706 7.90928 6.44928 8.56884 6.35409 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 7.90928 9.99706 9.44115 6.35409 8.56884 6.44928 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.77049 5.16141 6.95341 11.3797 6.33889 11.7623 numMergedOcc 0
3 mol 9 unq 0 iso 1 dist 6.95341 5.16141 8.77049 11.7623 6.33889 11.3797 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 8.17564 3.8971 7.19213 10.6918 6.23899 7.5168 numMergedOcc 0
5 mol 59 unq 0 iso 1 dist 7.19213 3.8971 8.17564 7.5168 6.23899 10.6918 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 8.17564 14.4502 6.94351 10.6918 6.23899 9.2891 numMergedOcc 0
7 mol 59 unq 1 iso 1 dist 6.94351 14.4502 8.17564 9.2891 6.23899 10.6918 numMergedOcc 0
8 mol 59 unq 1 iso 0 dist 7.19213 13.5267 6.94351 7.5168 6.23899 9.2891 numMergedOcc 0
9 mol 59 unq 1 iso 1 dist 6.94351 13.5267 7.19213 9.2891 6.23899 7.5168 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 9.15288 10.0477 9.4909 6.38702 8.30646 8.66126 numMergedOcc 0
11 mol 78 unq 0 iso 1 dist 9.4909 10.0477 9.15288 8.66126 8.30646 6.38702 numMergedOcc 0
12 mol 117 unq 0 iso 0 dist 8.0578 12.3184 8.78982 11.1675 7.20326 6.7814 numMergedOcc 0
13 mol 117 unq 0 iso 1 dist 8.78982 12.3184 8.0578 6.7814 7.20326 11.1675 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 8.95838 15.0412 9.47892 7.38295 7.39889 9.58951 numMergedOcc 0
15 mol 119 unq 0 iso 1 dist 9.47892 15.0412 8.95838 9.58951 7.39889 7.38295 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 8.95838 15.0412 9.47892 5.85391 9.63176 18.2257 numMergedOcc 0
17 mol 119 unq 1 iso 1 dist 9.47892 15.0412 8.95838 18.2257 9.63176 5.85391 numMergedOcc 0
18 mol 119 unq 2 iso 0 dist 8.95838 15.0412 9.47892 11.0075 7.44174 9.93013 numMergedOcc 0
19 mol 119 unq 2 iso 1 dist 9.47892 15.0412 8.95838 9.93013 7.44174 11.0075 numMergedOcc 0
20 mol 143 unq 0 iso 0 dist 9.43335 15.2469 9.9492 5.69675 7.31468 9.79072 numMergedOcc 0
21 mol 143 unq 0 iso 1 dist 9.9492 15.2469 9.43335 9.79072 7.31468 5.69675 numMergedOcc 0
22 mol 143 unq 1 iso 0 dist 9.43335 15.2469 9.9492 10.5005 7.7056 5.80488 numMergedOcc 0
23 mol 143 unq 1 iso 1 dist 9.9492 15.2469 9.43335 5.80488 7.7056 10.5005 numMergedOcc 0
24 mol 155 unq 0 iso 0 dist 8.02593 9.95765 8.77391 5.01007 7.39644 12.7814 numMergedOcc 0
25 mol 155 unq 0 iso 1 dist 8.77391 9.95765 8.02593 12.7814 7.39644 5.01007 numMergedOcc 0
26 mol 155 unq 1 iso 0 dist 8.02593 9.95765 8.77391 9.80448 7.36102 4.94973 numMergedOcc 0
27 mol 155 unq 1 iso 1 dist 8.77391 9.95765 8.02593 4.94973 7.36102 9.80448 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 8.45395 4.09371 9.15368 9.47799 6.94688 9.09989 numMergedOcc 0
29 mol 181 unq 0 iso 1 dist 9.15368 4.09371 8.45395 9.09989 6.94688 9.47799 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 8.45395 7.37799 9.20477 9.47799 6.94688 4.98009 numMergedOcc 0
31 mol 181 unq 1 iso 1 dist 9.20477 7.37799 8.45395 4.98009 6.94688 9.47799 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 9.15368 5.54834 9.20477 9.09989 6.94688 4.98009 numMergedOcc 0
33 mol 181 unq 1 iso 1 dist 9.20477 5.54834 9.15368 4.98009 6.94688 9.09989 numMergedOcc 0
34 mol 181 unq 2 iso 0 dist 5.41368 4.09371 7.96182 9.47799 6.71012 9.09989 numMergedOcc 0
35 mol 181 unq 2 iso 1 dist 7.96182 4.09371 5.41368 9.09989 6.71012 9.47799 numMergedOcc 0
36 mol 181 unq 3 iso 0 dist 5.41368 7.37799 7.90237 9.47799 6.71012 4.98009 numMergedOcc 0
37 mol 181 unq 3 iso 1 dist 7.90237 7.37799 5.41368 4.98009 6.71012 9.47799 numMergedOcc 0
38 mol 181 unq 3 iso 0 dist 7.96182 5.54834 7.90237 9.09989 6.71012 4.98009 numMergedOcc 0
39 mol 181 unq 3 iso 1 dist 7.90237 5.54834 7.96182 4.98009 6.71012 9.09989 numMergedOcc 0
40 mol 181 unq 4 iso 0 dist 6.17129 6.7732 5.83596 4.3158 4.93785 4.3226 numMergedOcc 0
41 mol 181 unq 4 iso 1 dist 5.83596 6.7732 6.17129 4.3226 4.93785 4.3158 numMergedOcc 0
42 mol 183 unq 0 iso 0 dist 7.42108 9.96454 9.19941 4.81807 9.93083 7.68618 numMergedOcc 0
43 mol 183 unq 0 iso 1 dist 9.19941 9.96454 7.42108 7.68618 9.93083 4.81807 numMergedOcc 0
44 mol 183 unq 1 iso 0 dist 7.42108 9.96454 9.19941 7.79648 7.01383 6.50505 numMergedOcc 0
45 mol 183 unq 1 iso 1 dist 9.19941 9.96454 7.42108 6.50505 7.01383 7.79648 numMergedOcc 0
46 mol 197 unq 0 iso 0 dist 8.32685 5.3979 6.74777 10.5326 8.99696 5.29309 numMergedOcc 0
47 mol 197 unq 0 iso 1 dist 6.74777 5.3979 8.32685 5.29309 8.99696 10.5326 numMergedOcc 0
48 mol 197 unq 1 iso 0 dist 8.32685 9.51831 9.62514 10.5326 8.99696 4.57437 numMergedOcc 0
49 mol 197 unq 1 iso 1 dist 9.62514 9.51831 8.32685 4.57437 8.99696 10.5326 numMergedOcc 0
50 mol 197 unq 1 iso 0 dist 6.74777 4.66266 9.62514 5.29309 8.99696 4.57437 numMergedOcc 0
51 mol 197 unq 1 iso 1 dist 9.62514 4.66266 6.74777 4.57437 8.99696 5.29309 numMergedOcc 0
52 mol 227 unq 0 iso 0 dist 7.77951 9.86046 8.82471 4.53819 5.86443 10.9746 numMergedOcc 0
53 mol 227 unq 0 iso 1 dist 8.82471 9.86046 7.77951 10.9746 5.86443 4.53819 numMergedOcc 0
54 mol 232 unq 0 iso 0 dist 7.79085 4.19978 6.48753 12.6449 7.07392 10.0878 numMergedOcc 0
55 mol 232 unq 0 iso 1 dist 6.48753 4.19978 7.79085 10.0878 7.07392 12.6449 numMergedOcc 0
56 mol 232 unq 1 iso 0 dist 7.79085 4.19978 6.48753 12.0243 9.62952 9.58249 numMergedOcc 0
57 mol 232 unq 1 iso 1 dist 6.48753 4.19978 7.79085 9.58249 9.62952 12.0243 numMergedOcc 0
58 mol 232 unq 2 iso 0 dist 7.79085 9.33666 7.83802 12.6449 7.07392 8.32185 numMergedOcc 0
59 mol 232 unq 2 iso 1 dist 7.83802 9.33666 7.79085 8.32185 7.07392 12.6449 numMergedOcc 0
60 mol 232 unq 3 iso 0 dist 7.79085 9.33666 7.83802 12.0243 9.62952 8.24395 numMergedOcc 0
61 mol 232 unq 3 iso 1 dist 7.83802 9.33666 7.79085 8.24395 9.62952 12.0243 numMergedOcc 0
62 mol 232 unq 2 iso 0 dist 6.48753 5.14994 7.83802 10.0878 7.07392 8.32185 numMergedOcc 0
63 mol 232 unq 2 iso 1 dist 7.83802 5.14994 6.48753 8.32185 7.07392 10.0878 numMergedOcc 0
64 mol 232 unq 3 iso 0 dist 6.48753 5.14994 7.83802 9.58249 9.62952 8.24395 numMergedOcc 0
65 mol 232 unq 3 iso 1 dist 7.83802 5.14994 6.48753 8.24395 9.62952 9.58249 numMergedOcc 0
66 mol 238 unq 0 iso 0 dist 9.94175 13.7433 8.81534 13.8985 5.38637 5.33567 numMergedOcc 0
67 mol 238 unq 0 iso 1 dist 8.81534 13.7433 9.94175 5.33567 5.38637 13.8985 numMergedOcc 0
68 mol 238 unq 1 iso 0 dist 9.94175 13.7433 8.81534 14.9782 6.55759 9.85437 numMergedOcc 0
69 mol 238 unq 1 iso 1 dist 8.81534 13.7433 9.94175 9.85437 6.55759 14.9782 numMergedOcc 0
70 mol 243 unq 0 iso 0 dist 8.53888 6.68091 9.46855 10.3202 8.61104 10.1405 numMergedOcc 0
71 mol 243 unq 0 iso 1 dist 9.46855 6.68091 8.53888 10.1405 8.61104 10.3202 numMergedOcc 0
72 mol 247 unq 0 iso 0 dist 9.76925 18.3145 9.6455 14.6138 6.6838 9.44194 numMergedOcc 0
73 mol 247 unq 0 iso 1 dist 9.6455 18.3145 9.76925 9.44194 6.6838 14.6138 numMergedOcc 0
74 mol 282 unq 0 iso 0 dist 9.20119 12.2772 8.96997 12.5533 6.85028 4.64783 numMergedOcc 0
75 mol 282 unq 0 iso 1 dist 8.96997 12.2772 9.20119 4.64783 6.85028 12.5533 numMergedOcc 0
76 mol 282 unq 1 iso 0 dist 9.20119 12.2772 8.96997 14.3567 7.32347 10.0286 numMergedOcc 0
77 mol 282 unq 1 iso 1 dist 8.96997 12.2772 9.20119 10.0286 7.32347 14.3567 numMergedOcc 0
78 mol 282 unq 2 iso 0 dist 9.20119 12.2772 8.96997 6.32603 8.3411 7.65702 numMergedOcc 0
79 mol 282 unq 2 iso 1 dist 8.96997 12.2772 9.20119 7.65702 8.3411 6.32603 numMergedOcc 0
80 mol 294 unq 0 iso 0 dist 7.12793 6.19256 6.21208 11.2287 7.34205 6.45145 numMergedOcc 0
81 mol 294 unq 0 iso 1 dist 6.21208 6.19256 7.12793 6.45145 7.34205 11.2287 numMergedOcc 0
