0 mol 12 unq 0 iso 0 dist 9.52857 10.1802 5.76024 11.8349 7.92714 5.25297 numMergedOcc 0
1 mol 12 unq 0 iso 1 dist 9.52857 11.8349 7.92714 10.1802 5.76024 5.25297 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 9.52857 10.1802 5.76024 13.1322 8.47217 6.82858 numMergedOcc 0
3 mol 12 unq 1 iso 1 dist 9.52857 13.1322 8.47217 10.1802 5.76024 6.82858 numMergedOcc 0
4 mol 12 unq 1 iso 0 dist 9.52857 11.8349 7.92714 13.1322 8.47217 11.9461 numMergedOcc 0
5 mol 12 unq 1 iso 1 dist 9.52857 13.1322 8.47217 11.8349 7.92714 11.9461 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 5.72627 4.39227 8.03296 8.32896 9.26979 7.21092 numMergedOcc 0
7 mol 79 unq 0 iso 1 dist 5.72627 8.32896 9.26979 4.39227 8.03296 7.21092 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 7.68741 4.39227 5.82754 8.32896 9.05679 7.21092 numMergedOcc 0
9 mol 79 unq 1 iso 1 dist 7.68741 8.32896 9.05679 4.39227 5.82754 7.21092 numMergedOcc 0
10 mol 79 unq 2 iso 0 dist 9.76351 16.5814 9.78384 4.39227 8.87742 14.8479 numMergedOcc 0
11 mol 79 unq 2 iso 1 dist 9.76351 4.39227 8.87742 16.5814 9.78384 14.8479 numMergedOcc 0
12 mol 79 unq 3 iso 0 dist 9.76351 16.5814 9.78384 8.32896 4.93468 8.25967 numMergedOcc 0
13 mol 79 unq 3 iso 1 dist 9.76351 8.32896 4.93468 16.5814 9.78384 8.25967 numMergedOcc 0
14 mol 79 unq 3 iso 0 dist 9.76351 4.39227 8.87742 8.32896 4.93468 7.21092 numMergedOcc 0
15 mol 79 unq 3 iso 1 dist 9.76351 8.32896 4.93468 4.39227 8.87742 7.21092 numMergedOcc 0
16 mol 93 unq 0 iso 0 dist 9.52206 7.00155 8.89417 9.45154 9.95255 9.11219 numMergedOcc 0
17 mol 93 unq 0 iso 1 dist 9.52206 9.45154 9.95255 7.00155 8.89417 9.11219 numMergedOcc 0
18 mol 93 unq 1 iso 0 dist 8.69945 14.3423 8.89417 8.76259 9.95255 9.11219 numMergedOcc 0
19 mol 93 unq 1 iso 1 dist 8.69945 8.76259 9.95255 14.3423 8.89417 9.11219 numMergedOcc 0
20 mol 129 unq 0 iso 0 dist 6.52844 7.72162 9.73158 7.95267 7.59327 5.41583 numMergedOcc 0
21 mol 129 unq 0 iso 1 dist 6.52844 7.95267 7.59327 7.72162 9.73158 5.41583 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 5.66405 11.3783 9.10042 11.1002 9.75059 4.72386 numMergedOcc 0
23 mol 141 unq 0 iso 1 dist 5.66405 11.1002 9.75059 11.3783 9.10042 4.72386 numMergedOcc 0
24 mol 141 unq 1 iso 0 dist 5.66405 11.3783 9.10042 5.63251 6.83404 13.0212 numMergedOcc 0
25 mol 141 unq 1 iso 1 dist 5.66405 5.63251 6.83404 11.3783 9.10042 13.0212 numMergedOcc 0
26 mol 141 unq 1 iso 0 dist 5.66405 11.1002 9.75059 5.63251 6.83404 11.0187 numMergedOcc 0
27 mol 141 unq 1 iso 1 dist 5.66405 5.63251 6.83404 11.1002 9.75059 11.0187 numMergedOcc 0
28 mol 156 unq 0 iso 0 dist 8.75305 5.6621 8.21184 6.65278 5.41575 4.40883 numMergedOcc 0
29 mol 156 unq 0 iso 1 dist 8.75305 6.65278 5.41575 5.6621 8.21184 4.40883 numMergedOcc 0
30 mol 156 unq 1 iso 0 dist 5.13522 5.6621 5.9976 6.65278 6.86566 4.40883 numMergedOcc 0
31 mol 156 unq 1 iso 1 dist 5.13522 6.65278 6.86566 5.6621 5.9976 4.40883 numMergedOcc 0
32 mol 171 unq 0 iso 0 dist 8.29782 4.71612 7.22518 5.66419 5.25109 7.9115 numMergedOcc 0
33 mol 171 unq 0 iso 1 dist 8.29782 5.66419 5.25109 4.71612 7.22518 7.9115 numMergedOcc 0
34 mol 171 unq 1 iso 0 dist 7.61144 7.486 7.58499 13.5731 8.21618 7.9115 numMergedOcc 0
35 mol 171 unq 1 iso 1 dist 7.61144 13.5731 8.21618 7.486 7.58499 7.9115 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 8.90567 8.96857 8.86197 6.03835 5.94379 11.5564 numMergedOcc 0
37 mol 181 unq 0 iso 1 dist 8.90567 6.03835 5.94379 8.96857 8.86197 11.5564 numMergedOcc 0
38 mol 192 unq 0 iso 0 dist 8.14859 14.4054 8.26288 9.72372 6.60053 9.52218 numMergedOcc 0
39 mol 192 unq 0 iso 1 dist 8.14859 9.72372 6.60053 14.4054 8.26288 9.52218 numMergedOcc 0
40 mol 256 unq 0 iso 0 dist 9.74449 10.3756 4.98734 13.5199 6.37963 4.56465 numMergedOcc 0
41 mol 256 unq 0 iso 1 dist 9.74449 13.5199 6.37963 10.3756 4.98734 4.56465 numMergedOcc 0
42 mol 256 unq 1 iso 0 dist 9.74449 10.3756 4.98734 6.37659 8.16803 8.02729 numMergedOcc 0
43 mol 256 unq 1 iso 1 dist 9.74449 6.37659 8.16803 10.3756 4.98734 8.02729 numMergedOcc 0
44 mol 256 unq 1 iso 0 dist 9.74449 13.5199 6.37963 6.37659 8.16803 12.3316 numMergedOcc 0
45 mol 256 unq 1 iso 1 dist 9.74449 6.37659 8.16803 13.5199 6.37963 12.3316 numMergedOcc 0
