0 mol 0 unq 0 iso 0 dist 8.38106 9.47341 5.70193 11.108 5.55156 4.4975 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 5.70193 9.47341 8.38106 4.4975 5.55156 11.108 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 5.41134 7.14954 8.61357 5.29688 9.05547 12.0007 numMergedOcc 0
3 mol 59 unq 0 iso 1 dist 8.61357 7.14954 5.41134 12.0007 9.05547 5.29688 numMergedOcc 0
4 mol 71 unq 0 iso 0 dist 8.39608 10.3874 7.28815 4.93292 8.21553 6.53623 numMergedOcc 0
5 mol 71 unq 0 iso 1 dist 7.28815 10.3874 8.39608 6.53623 8.21553 4.93292 numMergedOcc 0
6 mol 71 unq 1 iso 0 dist 8.39608 10.3874 7.28815 9.16746 8.22762 5.67157 numMergedOcc 0
7 mol 71 unq 1 iso 1 dist 7.28815 10.3874 8.39608 5.67157 8.22762 9.16746 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 8.09675 5.04503 9.02753 14.4838 9.89021 12.3838 numMergedOcc 0
9 mol 73 unq 0 iso 1 dist 9.02753 5.04503 8.09675 12.3838 9.89021 14.4838 numMergedOcc 0
10 mol 87 unq 0 iso 0 dist 6.97882 10.9154 7.7858 11.2491 9.1329 11.2195 numMergedOcc 0
11 mol 87 unq 0 iso 1 dist 7.7858 10.9154 6.97882 11.2195 9.1329 11.2491 numMergedOcc 0
12 mol 87 unq 1 iso 0 dist 6.97882 10.9154 7.7858 5.00184 9.33217 9.58456 numMergedOcc 0
13 mol 87 unq 1 iso 1 dist 7.7858 10.9154 6.97882 9.58456 9.33217 5.00184 numMergedOcc 0
14 mol 87 unq 2 iso 0 dist 6.97882 10.9154 7.7858 12.8734 9.03114 5.66355 numMergedOcc 0
15 mol 87 unq 2 iso 1 dist 7.7858 10.9154 6.97882 5.66355 9.03114 12.8734 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 5.9962 11.1037 8.61448 4.58263 8.96061 10.1805 numMergedOcc 0
17 mol 133 unq 0 iso 1 dist 8.61448 11.1037 5.9962 10.1805 8.96061 4.58263 numMergedOcc 0
18 mol 155 unq 0 iso 0 dist 5.16143 9.95765 8.08392 5.01007 8.66709 12.7814 numMergedOcc 0
19 mol 155 unq 0 iso 1 dist 8.08392 9.95765 5.16143 12.7814 8.66709 5.01007 numMergedOcc 0
20 mol 168 unq 0 iso 0 dist 9.60268 4.15843 8.79954 6.51864 8.8573 5.14137 numMergedOcc 0
21 mol 168 unq 0 iso 1 dist 8.79954 4.15843 9.60268 5.14137 8.8573 6.51864 numMergedOcc 0
22 mol 185 unq 0 iso 0 dist 7.64068 12.1865 9.83898 5.77911 9.03315 13.2401 numMergedOcc 0
23 mol 185 unq 0 iso 1 dist 9.83898 12.1865 7.64068 13.2401 9.03315 5.77911 numMergedOcc 0
24 mol 185 unq 1 iso 0 dist 7.64068 12.1865 9.83898 10.1438 9.59096 4.83776 numMergedOcc 0
25 mol 185 unq 1 iso 1 dist 9.83898 12.1865 7.64068 4.83776 9.59096 10.1438 numMergedOcc 0
26 mol 250 unq 0 iso 0 dist 9.54274 5.62511 8.65735 5.45802 5.32724 3.78208 numMergedOcc 0
27 mol 250 unq 0 iso 1 dist 8.65735 5.62511 9.54274 3.78208 5.32724 5.45802 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 9.17911 18.0951 9.52903 9.07364 9.67877 14.2753 numMergedOcc 0
29 mol 258 unq 0 iso 1 dist 9.52903 18.0951 9.17911 14.2753 9.67877 9.07364 numMergedOcc 0
30 mol 258 unq 1 iso 0 dist 9.17911 18.0951 9.52903 17.1229 8.81059 7.52881 numMergedOcc 0
31 mol 258 unq 1 iso 1 dist 9.52903 18.0951 9.17911 7.52881 8.81059 17.1229 numMergedOcc 0
32 mol 258 unq 2 iso 0 dist 9.17911 18.0951 9.52903 15.539 9.12006 12.3042 numMergedOcc 0
33 mol 258 unq 2 iso 1 dist 9.52903 18.0951 9.17911 12.3042 9.12006 15.539 numMergedOcc 0
34 mol 258 unq 3 iso 0 dist 9.46746 7.93277 7.31698 9.05496 8.55181 6.46484 numMergedOcc 0
35 mol 258 unq 3 iso 1 dist 7.31698 7.93277 9.46746 6.46484 8.55181 9.05496 numMergedOcc 0
36 mol 273 unq 0 iso 0 dist 9.80002 8.25517 6.73794 10.5063 6.54753 5.75973 numMergedOcc 0
37 mol 273 unq 0 iso 1 dist 6.73794 8.25517 9.80002 5.75973 6.54753 10.5063 numMergedOcc 0
