0 mol 25 unq 0 iso 0 dist 8.88413 9.87281 10.8648 5.97432 10.1525 7.63409 numMergedOcc 0
1 mol 25 unq 0 iso 1 dist 9.87281 8.88413 10.8648 5.97432 7.63409 10.1525 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.88413 7.63928 10.2779 5.97432 10.1525 8.4666 numMergedOcc 0
3 mol 25 unq 1 iso 1 dist 7.63928 8.88413 10.2779 5.97432 8.4666 10.1525 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 9.87281 7.63928 4.51512 5.97432 7.63409 8.4666 numMergedOcc 0
5 mol 25 unq 1 iso 1 dist 7.63928 9.87281 4.51512 5.97432 8.4666 7.63409 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 7.74197 7.86537 5.57085 8.87924 5.31226 9.61103 numMergedOcc 0
7 mol 88 unq 0 iso 1 dist 7.86537 7.74197 5.57085 8.87924 9.61103 5.31226 numMergedOcc 0
8 mol 88 unq 1 iso 0 dist 7.74197 6.35462 9.94966 8.87924 5.31226 7.48682 numMergedOcc 0
9 mol 88 unq 1 iso 1 dist 6.35462 7.74197 9.94966 8.87924 7.48682 5.31226 numMergedOcc 0
10 mol 88 unq 1 iso 0 dist 7.86537 6.35462 10.9968 8.87924 9.61103 7.48682 numMergedOcc 0
11 mol 88 unq 1 iso 1 dist 6.35462 7.86537 10.9968 8.87924 7.48682 9.61103 numMergedOcc 0
12 mol 90 unq 0 iso 0 dist 5.9179 9.34782 7.60026 7.86269 8.89062 10.1287 numMergedOcc 0
13 mol 90 unq 0 iso 1 dist 9.34782 5.9179 7.60026 7.86269 10.1287 8.89062 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 8.4545 7.01176 5.04493 8.95651 5.69731 4.14907 numMergedOcc 0
15 mol 92 unq 0 iso 1 dist 7.01176 8.4545 5.04493 8.95651 4.14907 5.69731 numMergedOcc 0
16 mol 112 unq 0 iso 0 dist 7.53905 7.15985 10.838 7.98999 11.7428 3.98564 numMergedOcc 0
17 mol 112 unq 0 iso 1 dist 7.15985 7.53905 10.838 7.98999 3.98564 11.7428 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 8.82535 6.18763 4.72062 6.1835 4.68219 5.75886 numMergedOcc 0
19 mol 119 unq 0 iso 1 dist 6.18763 8.82535 4.72062 6.1835 5.75886 4.68219 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 8.82535 8.44385 10.0278 6.1835 4.68219 8.65129 numMergedOcc 0
21 mol 119 unq 1 iso 1 dist 8.44385 8.82535 10.0278 6.1835 8.65129 4.68219 numMergedOcc 0
22 mol 119 unq 2 iso 0 dist 8.82535 5.63005 9.93385 6.1835 4.68219 6.4739 numMergedOcc 0
23 mol 119 unq 2 iso 1 dist 5.63005 8.82535 9.93385 6.1835 6.4739 4.68219 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 6.18763 8.44385 10.9871 6.1835 5.75886 8.65129 numMergedOcc 0
25 mol 119 unq 1 iso 1 dist 8.44385 6.18763 10.9871 6.1835 8.65129 5.75886 numMergedOcc 0
26 mol 119 unq 2 iso 0 dist 6.18763 5.63005 9.93257 6.1835 5.75886 6.4739 numMergedOcc 0
27 mol 119 unq 2 iso 1 dist 5.63005 6.18763 9.93257 6.1835 6.4739 5.75886 numMergedOcc 0
28 mol 119 unq 2 iso 0 dist 8.44385 5.63005 4.85907 6.1835 8.65129 6.4739 numMergedOcc 0
29 mol 119 unq 2 iso 1 dist 5.63005 8.44385 4.85907 6.1835 6.4739 8.65129 numMergedOcc 0
30 mol 218 unq 0 iso 0 dist 7.0843 7.73315 4.72474 5.72444 6.90702 10.4526 numMergedOcc 0
31 mol 218 unq 0 iso 1 dist 7.73315 7.0843 4.72474 5.72444 10.4526 6.90702 numMergedOcc 0
32 mol 218 unq 1 iso 0 dist 7.0843 6.9398 6.17651 5.72444 6.90702 8.94041 numMergedOcc 0
33 mol 218 unq 1 iso 1 dist 6.9398 7.0843 6.17651 5.72444 8.94041 6.90702 numMergedOcc 0
34 mol 218 unq 1 iso 0 dist 7.73315 6.9398 5.61978 5.72444 10.4526 8.94041 numMergedOcc 0
35 mol 218 unq 1 iso 1 dist 6.9398 7.73315 5.61978 5.72444 8.94041 10.4526 numMergedOcc 0
36 mol 237 unq 0 iso 0 dist 9.42743 9.5822 16.5066 9.80232 6.01573 13.1083 numMergedOcc 0
37 mol 237 unq 0 iso 1 dist 9.5822 9.42743 16.5066 9.80232 13.1083 6.01573 numMergedOcc 0
38 mol 237 unq 1 iso 0 dist 9.42743 9.5822 16.5066 6.18606 10.461 6.23145 numMergedOcc 0
39 mol 237 unq 1 iso 1 dist 9.5822 9.42743 16.5066 6.18606 6.23145 10.461 numMergedOcc 0
40 mol 251 unq 0 iso 0 dist 9.228 7.4878 6.46034 9.08038 7.35563 6.26359 numMergedOcc 0
41 mol 251 unq 0 iso 1 dist 7.4878 9.228 6.46034 9.08038 6.26359 7.35563 numMergedOcc 0
42 mol 264 unq 0 iso 0 dist 7.36905 6.83408 8.96144 8.28871 4.48907 10.1591 numMergedOcc 0
43 mol 264 unq 0 iso 1 dist 6.83408 7.36905 8.96144 8.28871 10.1591 4.48907 numMergedOcc 0
44 mol 274 unq 0 iso 0 dist 9.09967 8.49076 12.8986 9.91748 8.99212 8.33977 numMergedOcc 0
45 mol 274 unq 0 iso 1 dist 8.49076 9.09967 12.8986 9.91748 8.33977 8.99212 numMergedOcc 0
46 mol 274 unq 1 iso 0 dist 6.55855 9.52894 6.828 7.71972 8.09454 10.0424 numMergedOcc 0
47 mol 274 unq 1 iso 1 dist 9.52894 6.55855 6.828 7.71972 10.0424 8.09454 numMergedOcc 0
48 mol 274 unq 2 iso 0 dist 6.55855 9.52894 6.828 9.76049 14.1363 15.375 numMergedOcc 0
49 mol 274 unq 2 iso 1 dist 9.52894 6.55855 6.828 9.76049 15.375 14.1363 numMergedOcc 0
50 mol 277 unq 0 iso 0 dist 8.11838 7.88897 5.44531 5.70326 4.67953 8.29849 numMergedOcc 0
51 mol 277 unq 0 iso 1 dist 7.88897 8.11838 5.44531 5.70326 8.29849 4.67953 numMergedOcc 0
