0 mol 10 unq 0 iso 0 dist 9.96463 8.44792 15.5107 4.94198 8.34543 8.45469 numMergedOcc 0
1 mol 10 unq 0 iso 1 dist 9.96463 4.94198 8.34543 8.44792 15.5107 8.45469 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 9.96463 8.44792 15.5107 9.62353 5.06302 16.6607 numMergedOcc 0
3 mol 10 unq 1 iso 1 dist 9.96463 9.62353 5.06302 8.44792 15.5107 16.6607 numMergedOcc 0
4 mol 10 unq 1 iso 0 dist 9.96463 4.94198 8.34543 9.62353 5.06302 8.52733 numMergedOcc 0
5 mol 10 unq 1 iso 1 dist 9.96463 9.62353 5.06302 4.94198 8.34543 8.52733 numMergedOcc 0
6 mol 20 unq 0 iso 0 dist 9.55415 7.17695 4.8515 9.33207 3.51645 3.39356 numMergedOcc 0
7 mol 20 unq 0 iso 1 dist 9.55415 9.33207 3.51645 7.17695 4.8515 3.39356 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 8.69443 4.90216 12.2061 9.84217 11.2603 10.472 numMergedOcc 0
9 mol 59 unq 0 iso 1 dist 8.69443 9.84217 11.2603 4.90216 12.2061 10.472 numMergedOcc 0
10 mol 62 unq 0 iso 0 dist 9.3913 8.7531 5.47272 7.25138 12.5032 14.2375 numMergedOcc 0
11 mol 62 unq 0 iso 1 dist 9.3913 7.25138 12.5032 8.7531 5.47272 14.2375 numMergedOcc 0
12 mol 78 unq 0 iso 0 dist 6.02034 8.48827 13.1307 7.14048 10.7383 3.24688 numMergedOcc 0
13 mol 78 unq 0 iso 1 dist 6.02034 7.14048 10.7383 8.48827 13.1307 3.24688 numMergedOcc 0
14 mol 78 unq 1 iso 0 dist 6.77808 8.03895 13.1307 5.68873 10.7383 3.24688 numMergedOcc 0
15 mol 78 unq 1 iso 1 dist 6.77808 5.68873 10.7383 8.03895 13.1307 3.24688 numMergedOcc 0
16 mol 93 unq 0 iso 0 dist 7.62629 5.10693 7.08249 6.58814 8.37319 2.81832 numMergedOcc 0
17 mol 93 unq 0 iso 1 dist 7.62629 6.58814 8.37319 5.10693 7.08249 2.81832 numMergedOcc 0
18 mol 93 unq 1 iso 0 dist 7.62629 5.10693 7.08249 6.13459 9.47729 10.7776 numMergedOcc 0
19 mol 93 unq 1 iso 1 dist 7.62629 6.13459 9.47729 5.10693 7.08249 10.7776 numMergedOcc 0
20 mol 93 unq 2 iso 0 dist 7.62629 5.10693 7.08249 7.54391 8.88832 10.4844 numMergedOcc 0
21 mol 93 unq 2 iso 1 dist 7.62629 7.54391 8.88832 5.10693 7.08249 10.4844 numMergedOcc 0
22 mol 93 unq 1 iso 0 dist 7.62629 6.58814 8.37319 6.13459 9.47729 11.7564 numMergedOcc 0
23 mol 93 unq 1 iso 1 dist 7.62629 6.13459 9.47729 6.58814 8.37319 11.7564 numMergedOcc 0
24 mol 93 unq 2 iso 0 dist 7.62629 6.58814 8.37319 7.54391 8.88832 10.3262 numMergedOcc 0
25 mol 93 unq 2 iso 1 dist 7.62629 7.54391 8.88832 6.58814 8.37319 10.3262 numMergedOcc 0
26 mol 93 unq 2 iso 0 dist 7.62629 6.13459 9.47729 7.54391 8.88832 5.02964 numMergedOcc 0
27 mol 93 unq 2 iso 1 dist 7.62629 7.54391 8.88832 6.13459 9.47729 5.02964 numMergedOcc 0
28 mol 136 unq 0 iso 0 dist 9.87222 9.73897 9.72078 8.59512 4.91049 9.83798 numMergedOcc 0
29 mol 136 unq 0 iso 1 dist 9.87222 8.59512 4.91049 9.73897 9.72078 9.83798 numMergedOcc 0
30 mol 147 unq 0 iso 0 dist 6.00651 8.76449 6.99467 8.36182 4.53687 3.6066 numMergedOcc 0
31 mol 147 unq 0 iso 1 dist 6.00651 8.36182 4.53687 8.76449 6.99467 3.6066 numMergedOcc 0
32 mol 147 unq 1 iso 0 dist 8.52428 8.76449 10.4515 8.36182 9.02691 3.6066 numMergedOcc 0
33 mol 147 unq 1 iso 1 dist 8.52428 8.36182 9.02691 8.76449 10.4515 3.6066 numMergedOcc 0
34 mol 180 unq 0 iso 0 dist 5.43774 7.58661 6.15473 6.53993 4.52794 5.64829 numMergedOcc 0
35 mol 180 unq 0 iso 1 dist 5.43774 6.53993 4.52794 7.58661 6.15473 5.64829 numMergedOcc 0
36 mol 180 unq 1 iso 0 dist 8.31061 5.81023 6.15473 8.4285 4.52794 5.64829 numMergedOcc 0
37 mol 180 unq 1 iso 1 dist 8.31061 8.4285 4.52794 5.81023 6.15473 5.64829 numMergedOcc 0
38 mol 183 unq 0 iso 0 dist 9.86506 9.61725 16.7354 9.52042 13.683 5.6959 numMergedOcc 0
39 mol 183 unq 0 iso 1 dist 9.86506 9.52042 13.683 9.61725 16.7354 5.6959 numMergedOcc 0
40 mol 183 unq 1 iso 0 dist 5.83335 7.16035 9.54202 6.2675 4.96829 5.6959 numMergedOcc 0
41 mol 183 unq 1 iso 1 dist 5.83335 6.2675 4.96829 7.16035 9.54202 5.6959 numMergedOcc 0
42 mol 183 unq 2 iso 0 dist 7.86724 9.61725 9.54202 9.52042 4.96829 5.6959 numMergedOcc 0
43 mol 183 unq 2 iso 1 dist 7.86724 9.52042 4.96829 9.61725 9.54202 5.6959 numMergedOcc 0
44 mol 183 unq 3 iso 0 dist 9.92635 7.16035 10.7786 6.2675 14.145 5.6959 numMergedOcc 0
45 mol 183 unq 3 iso 1 dist 9.92635 6.2675 14.145 7.16035 10.7786 5.6959 numMergedOcc 0
46 mol 183 unq 4 iso 0 dist 7.85507 9.61725 10.7786 9.52042 14.145 5.6959 numMergedOcc 0
47 mol 183 unq 4 iso 1 dist 7.85507 9.52042 14.145 9.61725 10.7786 5.6959 numMergedOcc 0
48 mol 186 unq 0 iso 0 dist 9.71223 6.99587 5.56574 4.37577 7.76011 3.09727 numMergedOcc 0
49 mol 186 unq 0 iso 1 dist 9.71223 4.37577 7.76011 6.99587 5.56574 3.09727 numMergedOcc 0
50 mol 192 unq 0 iso 0 dist 7.252 5.05414 9.52346 7.16964 6.78691 4.98308 numMergedOcc 0
51 mol 192 unq 0 iso 1 dist 7.252 7.16964 6.78691 5.05414 9.52346 4.98308 numMergedOcc 0
52 mol 204 unq 0 iso 0 dist 5.67196 8.29256 3.72258 7.8274 7.27203 8.55398 numMergedOcc 0
53 mol 204 unq 0 iso 1 dist 5.67196 7.8274 7.27203 8.29256 3.72258 8.55398 numMergedOcc 0
54 mol 232 unq 0 iso 0 dist 9.20965 9.38205 3.68934 8.32831 13.1614 10.7706 numMergedOcc 0
55 mol 232 unq 0 iso 1 dist 9.20965 8.32831 13.1614 9.38205 3.68934 10.7706 numMergedOcc 0
56 mol 232 unq 1 iso 0 dist 9.71082 9.33969 13.4178 7.64079 3.79439 9.65274 numMergedOcc 0
57 mol 232 unq 1 iso 1 dist 9.71082 7.64079 3.79439 9.33969 13.4178 9.65274 numMergedOcc 0
58 mol 283 unq 0 iso 0 dist 7.90132 9.35302 7.27864 8.85163 13.4741 13.4236 numMergedOcc 0
59 mol 283 unq 0 iso 1 dist 7.90132 8.85163 13.4741 9.35302 7.27864 13.4236 numMergedOcc 0
60 mol 294 unq 0 iso 0 dist 5.27236 7.48987 4.99494 8.35637 9.15036 10.1889 numMergedOcc 0
61 mol 294 unq 0 iso 1 dist 5.27236 8.35637 9.15036 7.48987 4.99494 10.1889 numMergedOcc 0
