0 mol 2 unq 0 iso 0 dist 5.42021 9.15006 4.09189 5.5745 5.67638 9.47807 numMergedOcc 0
1 mol 2 unq 0 iso 1 dist 9.15006 5.42021 4.09189 5.5745 9.47807 5.67638 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 4.67917 6.88924 3.8971 6.65344 5.34079 6.11334 numMergedOcc 0
3 mol 59 unq 0 iso 1 dist 6.88924 4.67917 3.8971 6.65344 6.11334 5.34079 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 4.67917 5.81747 7.14954 8.05508 5.29688 12.0007 numMergedOcc 0
5 mol 59 unq 1 iso 1 dist 5.81747 4.67917 7.14954 8.05508 12.0007 5.29688 numMergedOcc 0
6 mol 59 unq 2 iso 0 dist 4.67917 5.81747 7.14954 9.00229 11.0325 10.9658 numMergedOcc 0
7 mol 59 unq 2 iso 1 dist 5.81747 4.67917 7.14954 9.00229 10.9658 11.0325 numMergedOcc 0
8 mol 59 unq 3 iso 0 dist 5.81747 6.81975 3.8971 9.59244 10.6918 7.5168 numMergedOcc 0
9 mol 59 unq 3 iso 1 dist 6.81975 5.81747 3.8971 9.59244 7.5168 10.6918 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 9.84346 9.46472 3.93133 9.23023 7.17843 4.4651 numMergedOcc 0
11 mol 78 unq 0 iso 1 dist 9.46472 9.84346 3.93133 9.23023 4.4651 7.17843 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 9.59503 9.61119 7.25233 8.4545 4.73713 9.29076 numMergedOcc 0
13 mol 92 unq 0 iso 1 dist 9.61119 9.59503 7.25233 8.4545 9.29076 4.73713 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 9.59503 9.61119 7.25233 7.01176 4.36394 4.39652 numMergedOcc 0
15 mol 92 unq 1 iso 1 dist 9.61119 9.59503 7.25233 7.01176 4.39652 4.36394 numMergedOcc 0
16 mol 169 unq 0 iso 0 dist 8.44483 9.79864 8.84626 9.46833 14.0747 11.1911 numMergedOcc 0
17 mol 169 unq 0 iso 1 dist 9.79864 8.44483 8.84626 9.46833 11.1911 14.0747 numMergedOcc 0
18 mol 169 unq 1 iso 0 dist 8.44483 9.73241 16.2413 9.46833 14.0747 9.31064 numMergedOcc 0
19 mol 169 unq 1 iso 1 dist 9.73241 8.44483 16.2413 9.46833 9.31064 14.0747 numMergedOcc 0
20 mol 169 unq 1 iso 0 dist 9.79864 9.73241 11.079 9.46833 11.1911 9.31064 numMergedOcc 0
21 mol 169 unq 1 iso 1 dist 9.73241 9.79864 11.079 9.46833 9.31064 11.1911 numMergedOcc 0
22 mol 183 unq 0 iso 0 dist 5.44125 7.11505 3.75614 5.83071 4.81807 5.92045 numMergedOcc 0
23 mol 183 unq 0 iso 1 dist 7.11505 5.44125 3.75614 5.83071 5.92045 4.81807 numMergedOcc 0
24 mol 183 unq 1 iso 0 dist 5.44125 7.11505 3.75614 7.07224 10.0008 9.95614 numMergedOcc 0
25 mol 183 unq 1 iso 1 dist 7.11505 5.44125 3.75614 7.07224 9.95614 10.0008 numMergedOcc 0
26 mol 183 unq 2 iso 0 dist 5.44125 7.11505 3.75614 9.82101 11.2316 12.9864 numMergedOcc 0
27 mol 183 unq 2 iso 1 dist 7.11505 5.44125 3.75614 9.82101 12.9864 11.2316 numMergedOcc 0
28 mol 183 unq 3 iso 0 dist 5.44125 8.7143 9.96454 5.83071 4.81807 7.68618 numMergedOcc 0
29 mol 183 unq 3 iso 1 dist 8.7143 5.44125 9.96454 5.83071 7.68618 4.81807 numMergedOcc 0
30 mol 183 unq 4 iso 0 dist 5.44125 8.7143 9.96454 7.07224 10.0008 9.81623 numMergedOcc 0
31 mol 183 unq 4 iso 1 dist 8.7143 5.44125 9.96454 7.07224 9.81623 10.0008 numMergedOcc 0
32 mol 183 unq 5 iso 0 dist 5.44125 8.7143 9.96454 9.82101 11.2316 4.73001 numMergedOcc 0
33 mol 183 unq 5 iso 1 dist 8.7143 5.44125 9.96454 9.82101 4.73001 11.2316 numMergedOcc 0
34 mol 183 unq 3 iso 0 dist 7.11505 8.7143 12.8714 5.83071 5.92045 7.68618 numMergedOcc 0
35 mol 183 unq 3 iso 1 dist 8.7143 7.11505 12.8714 5.83071 7.68618 5.92045 numMergedOcc 0
36 mol 183 unq 4 iso 0 dist 7.11505 8.7143 12.8714 7.07224 9.95614 9.81623 numMergedOcc 0
37 mol 183 unq 4 iso 1 dist 8.7143 7.11505 12.8714 7.07224 9.81623 9.95614 numMergedOcc 0
38 mol 183 unq 5 iso 0 dist 7.11505 8.7143 12.8714 9.82101 12.9864 4.73001 numMergedOcc 0
39 mol 183 unq 5 iso 1 dist 8.7143 7.11505 12.8714 9.82101 4.73001 12.9864 numMergedOcc 0
40 mol 185 unq 0 iso 0 dist 9.56016 7.92501 11.1645 9.878 8.20407 4.83776 numMergedOcc 0
41 mol 185 unq 0 iso 1 dist 7.92501 9.56016 11.1645 9.878 4.83776 8.20407 numMergedOcc 0
42 mol 210 unq 0 iso 0 dist 9.718 8.61629 4.02543 8.62103 14.2438 11.4281 numMergedOcc 0
43 mol 210 unq 0 iso 1 dist 8.61629 9.718 4.02543 8.62103 11.4281 14.2438 numMergedOcc 0
44 mol 238 unq 0 iso 0 dist 7.82564 9.91136 5.15729 9.94315 5.65577 10.5703 numMergedOcc 0
45 mol 238 unq 0 iso 1 dist 9.91136 7.82564 5.15729 9.94315 10.5703 5.65577 numMergedOcc 0
46 mol 238 unq 1 iso 0 dist 7.82564 9.51177 5.00891 9.66555 5.60375 10.42 numMergedOcc 0
47 mol 238 unq 1 iso 1 dist 9.51177 7.82564 5.00891 9.66555 10.42 5.60375 numMergedOcc 0
48 mol 244 unq 0 iso 0 dist 5.06669 5.65248 6.37954 7.65388 11.6777 7.45211 numMergedOcc 0
49 mol 244 unq 0 iso 1 dist 5.65248 5.06669 6.37954 7.65388 7.45211 11.6777 numMergedOcc 0
50 mol 259 unq 0 iso 0 dist 5.30455 6.8184 5.25523 6.42725 5.59901 4.30432 numMergedOcc 0
51 mol 259 unq 0 iso 1 dist 6.8184 5.30455 5.25523 6.42725 4.30432 5.59901 numMergedOcc 0
52 mol 259 unq 1 iso 0 dist 5.30455 7.34794 4.24996 9.12507 8.70769 10.0253 numMergedOcc 0
53 mol 259 unq 1 iso 1 dist 7.34794 5.30455 4.24996 9.12507 10.0253 8.70769 numMergedOcc 0
54 mol 292 unq 0 iso 0 dist 8.35169 7.7557 8.77381 7.53641 8.04474 9.00118 numMergedOcc 0
55 mol 292 unq 0 iso 1 dist 7.7557 8.35169 8.77381 7.53641 9.00118 8.04474 numMergedOcc 0
