0 mol 6 unq 0 iso 0 dist 8.30543 10.388 9.94843 6.38732 7.54484 12.5999 numMergedOcc 0
1 mol 6 unq 0 iso 1 dist 9.94843 10.388 8.30543 12.5999 7.54484 6.38732 numMergedOcc 0
2 mol 71 unq 0 iso 0 dist 8.39608 10.3874 7.28815 10.3685 7.50921 9.85206 numMergedOcc 0
3 mol 71 unq 0 iso 1 dist 7.28815 10.3874 8.39608 9.85206 7.50921 10.3685 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.09675 5.04503 9.02753 10.2047 7.69222 14.0199 numMergedOcc 0
5 mol 73 unq 0 iso 1 dist 9.02753 5.04503 8.09675 14.0199 7.69222 10.2047 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.09675 5.04503 9.02753 10.8441 5.82056 13.7625 numMergedOcc 0
7 mol 73 unq 1 iso 1 dist 9.02753 5.04503 8.09675 13.7625 5.82056 10.8441 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 8.09675 5.04503 9.02753 15.2203 9.09115 17.5374 numMergedOcc 0
9 mol 73 unq 2 iso 1 dist 9.02753 5.04503 8.09675 17.5374 9.09115 15.2203 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 7.25561 3.94577 8.97499 6.69911 8.12959 3.94216 numMergedOcc 0
11 mol 76 unq 0 iso 1 dist 8.97499 3.94577 7.25561 3.94216 8.12959 6.69911 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 9.34752 13.7299 8.41858 11.6896 8.93181 3.9434 numMergedOcc 0
13 mol 119 unq 0 iso 1 dist 8.41858 13.7299 9.34752 3.9434 8.93181 11.6896 numMergedOcc 0
14 mol 155 unq 0 iso 0 dist 5.16143 9.95765 8.08392 5.05961 5.55218 5.68679 numMergedOcc 0
15 mol 155 unq 0 iso 1 dist 8.08392 9.95765 5.16143 5.68679 5.55218 5.05961 numMergedOcc 0
16 mol 168 unq 0 iso 0 dist 9.60268 4.15843 8.79954 5.4035 7.337 6.46155 numMergedOcc 0
17 mol 168 unq 0 iso 1 dist 8.79954 4.15843 9.60268 6.46155 7.337 5.4035 numMergedOcc 0
18 mol 192 unq 0 iso 0 dist 8.86627 4.45982 9.10569 9.82173 5.77035 9.52963 numMergedOcc 0
19 mol 192 unq 0 iso 1 dist 9.10569 4.45982 8.86627 9.52963 5.77035 9.82173 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 7.84215 6.33675 7.97183 10.0544 6.75579 6.96644 numMergedOcc 0
21 mol 205 unq 0 iso 1 dist 7.97183 6.33675 7.84215 6.96644 6.75579 10.0544 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 7.47852 5.47602 6.22332 11.1052 8.94981 13.5289 numMergedOcc 0
23 mol 225 unq 0 iso 1 dist 6.22332 5.47602 7.47852 13.5289 8.94981 11.1052 numMergedOcc 0
24 mol 225 unq 1 iso 0 dist 7.47852 5.47602 6.22332 3.60045 5.90986 6.40342 numMergedOcc 0
25 mol 225 unq 1 iso 1 dist 6.22332 5.47602 7.47852 6.40342 5.90986 3.60045 numMergedOcc 0
26 mol 225 unq 2 iso 0 dist 7.47852 5.47602 6.22332 10.6169 7.50697 9.92088 numMergedOcc 0
27 mol 225 unq 2 iso 1 dist 6.22332 5.47602 7.47852 9.92088 7.50697 10.6169 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 9.17911 18.0951 9.52903 11.5766 9.6327 11.7204 numMergedOcc 0
29 mol 258 unq 0 iso 1 dist 9.52903 18.0951 9.17911 11.7204 9.6327 11.5766 numMergedOcc 0
30 mol 258 unq 1 iso 0 dist 9.46746 7.93277 7.31698 9.21014 9.81589 4.58093 numMergedOcc 0
31 mol 258 unq 1 iso 1 dist 7.31698 7.93277 9.46746 4.58093 9.81589 9.21014 numMergedOcc 0
32 mol 273 unq 0 iso 0 dist 9.80002 8.25517 6.73794 10.6534 8.66133 3.80794 numMergedOcc 0
33 mol 273 unq 0 iso 1 dist 6.73794 8.25517 9.80002 3.80794 8.66133 10.6534 numMergedOcc 0
34 mol 273 unq 1 iso 0 dist 9.80002 8.25517 6.73794 15.8245 6.95569 13.255 numMergedOcc 0
35 mol 273 unq 1 iso 1 dist 6.73794 8.25517 9.80002 13.255 6.95569 15.8245 numMergedOcc 0
