0 mol 11 unq 0 iso 0 dist 7.05626 12.3213 9.81983 10.0141 6.51674 6.83186 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.58319 13.7714 5.7836 14.3905 6.17529 5.54472 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 8.58319 13.7714 5.7836 17.5144 9.78584 8.62369 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 8.58319 13.7714 5.7836 19.0277 11.505 6.5241 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 8.58319 8.34343 7.32996 11.3165 13.357 8.0812 numMergedOcc 0
5 mol 48 unq 4 iso 0 dist 8.16033 3.42062 9.42099 6.77802 3.85506 9.05737 numMergedOcc 0
6 mol 48 unq 5 iso 0 dist 8.31952 13.5251 5.82264 14.2624 6.30002 5.37439 numMergedOcc 0
7 mol 48 unq 6 iso 0 dist 8.31952 13.5251 5.82264 17.1896 9.72383 8.3714 numMergedOcc 0
8 mol 48 unq 7 iso 0 dist 8.31952 13.5251 5.82264 18.6696 11.5388 6.36817 numMergedOcc 0
9 mol 48 unq 8 iso 0 dist 8.31952 8.11968 7.20729 9.48328 10.8889 8.65524 numMergedOcc 0
10 mol 48 unq 9 iso 0 dist 8.31952 8.11968 7.20729 11.5119 13.697 8.22812 numMergedOcc 0
11 mol 53 unq 0 iso 0 dist 8.69565 4.79316 8.19958 11.5527 5.80365 8.88512 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 8.29506 8.25205 5.56839 12.0335 5.01255 5.20429 numMergedOcc 0
13 mol 93 unq 1 iso 0 dist 8.29506 8.25205 5.56839 12.471 9.11323 8.71366 numMergedOcc 0
14 mol 93 unq 2 iso 0 dist 7.24843 3.27874 5.56839 8.23294 5.01255 5.20429 numMergedOcc 0
15 mol 93 unq 3 iso 0 dist 7.24843 3.27874 5.56839 8.2702 9.11323 8.71366 numMergedOcc 0
16 mol 93 unq 4 iso 0 dist 6.58492 8.25205 7.83506 12.0335 8.98901 5.20429 numMergedOcc 0
17 mol 93 unq 5 iso 0 dist 6.58492 8.25205 7.83506 12.471 8.52329 8.71366 numMergedOcc 0
18 mol 93 unq 6 iso 0 dist 7.63783 3.27874 7.83506 8.23294 8.98901 5.20429 numMergedOcc 0
19 mol 93 unq 7 iso 0 dist 7.63783 3.27874 7.83506 8.2702 8.52329 8.71366 numMergedOcc 0
20 mol 107 unq 0 iso 0 dist 9.81403 4.55252 7.89505 9.81776 8.49625 8.19484 numMergedOcc 0
21 mol 109 unq 0 iso 0 dist 6.45174 8.58563 5.54226 9.76753 5.5693 9.51764 numMergedOcc 0
22 mol 109 unq 1 iso 0 dist 6.45174 8.58563 5.54226 12.547 11.1265 9.29327 numMergedOcc 0
23 mol 109 unq 2 iso 0 dist 8.70427 3.68143 5.54226 12.7948 5.5693 9.51764 numMergedOcc 0
24 mol 109 unq 3 iso 0 dist 8.70427 3.68143 5.54226 11.6009 11.1265 9.29327 numMergedOcc 0
25 mol 113 unq 0 iso 0 dist 9.17878 16.4052 7.40338 13.9084 6.29259 5.31126 numMergedOcc 0
26 mol 113 unq 1 iso 0 dist 9.17878 16.4052 7.40338 14.0762 7.08122 7.16619 numMergedOcc 0
27 mol 117 unq 0 iso 0 dist 9.40308 3.65999 6.5788 11.3394 6.05048 9.02015 numMergedOcc 0
28 mol 117 unq 1 iso 0 dist 8.00497 3.65999 6.2771 11.3394 4.42665 9.02015 numMergedOcc 0
29 mol 123 unq 0 iso 0 dist 7.36361 5.85997 9.42762 8.35926 4.10526 8.78115 numMergedOcc 0
30 mol 123 unq 1 iso 0 dist 7.36361 3.61945 7.30244 8.09682 7.88813 5.56127 numMergedOcc 0
31 mol 123 unq 2 iso 0 dist 7.36361 3.61945 7.30244 8.35926 4.10526 8.03692 numMergedOcc 0
32 mol 123 unq 3 iso 0 dist 7.36361 3.61945 7.30244 7.41568 12.6384 5.36214 numMergedOcc 0
33 mol 141 unq 0 iso 0 dist 6.41084 10.2696 4.92382 9.66667 3.80087 4.88514 numMergedOcc 0
34 mol 193 unq 0 iso 0 dist 6.77983 5.57164 9.9042 11.2631 11.1328 8.30069 numMergedOcc 0
35 mol 193 unq 1 iso 0 dist 6.77983 5.57164 9.9042 12.4391 11.6691 8.83551 numMergedOcc 0
36 mol 193 unq 2 iso 0 dist 7.06538 5.57164 6.21262 11.2631 11.4882 8.30069 numMergedOcc 0
37 mol 193 unq 3 iso 0 dist 7.06538 5.57164 6.21262 12.4391 9.7301 8.83551 numMergedOcc 0
38 mol 194 unq 0 iso 0 dist 7.71806 4.02402 8.43182 4.55528 3.7326 5.10542 numMergedOcc 0
39 mol 194 unq 1 iso 0 dist 7.71806 4.02402 8.43182 4.42095 7.29209 4.68722 numMergedOcc 0
40 mol 256 unq 0 iso 0 dist 8.73597 11.8209 4.36333 14.0674 5.59732 5.58222 numMergedOcc 0
41 mol 256 unq 1 iso 0 dist 7.32198 8.94771 4.36333 12.704 5.59732 5.58222 numMergedOcc 0
42 mol 260 unq 0 iso 0 dist 8.75324 7.27279 6.49413 11.7457 7.28821 8.62655 numMergedOcc 0
43 mol 260 unq 1 iso 0 dist 8.75324 9.87974 6.12343 11.4771 3.60349 7.04263 numMergedOcc 0
44 mol 260 unq 2 iso 0 dist 8.75324 5.97575 4.52405 11.4771 3.60349 6.48099 numMergedOcc 0
45 mol 281 unq 0 iso 0 dist 6.67593 3.86368 6.18742 7.43535 3.78169 7.90368 numMergedOcc 0
46 mol 281 unq 1 iso 0 dist 6.67593 3.86368 6.18742 9.80393 11.7772 6.69267 numMergedOcc 0
47 mol 281 unq 2 iso 0 dist 6.67593 7.4282 6.8089 11.8734 10.3992 5.33372 numMergedOcc 0
48 mol 281 unq 3 iso 0 dist 6.67593 7.4282 6.8089 9.80393 11.7772 6.56886 numMergedOcc 0
