0 mol 16 unq 0 iso 0 dist 9.30471 3.83262 6.42835 5.7598 6.57331 6.09368 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 9.30471 5.7598 6.57331 3.83262 6.42835 6.09368 numMergedOcc 0
2 mol 60 unq 0 iso 0 dist 7.7654 5.40533 9.95132 4.70443 7.48086 8.42811 numMergedOcc 0
3 mol 60 unq 0 iso 1 dist 7.7654 4.70443 7.48086 5.40533 9.95132 8.42811 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 8.4143 6.53445 6.21799 6.27856 5.03251 3.43675 numMergedOcc 0
5 mol 72 unq 0 iso 1 dist 8.4143 6.27856 5.03251 6.53445 6.21799 3.43675 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 8.4143 6.53445 6.21799 11.2873 7.66093 5.75711 numMergedOcc 0
7 mol 72 unq 1 iso 1 dist 8.4143 11.2873 7.66093 6.53445 6.21799 5.75711 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 8.4143 6.27856 5.03251 11.2873 7.66093 5.26077 numMergedOcc 0
9 mol 72 unq 1 iso 1 dist 8.4143 11.2873 7.66093 6.27856 5.03251 5.26077 numMergedOcc 0
10 mol 89 unq 0 iso 0 dist 9.6629 8.04878 6.53308 11.9796 7.47974 7.04263 numMergedOcc 0
11 mol 89 unq 0 iso 1 dist 9.6629 11.9796 7.47974 8.04878 6.53308 7.04263 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 9.64673 10.6733 9.3948 15.954 9.74607 8.00584 numMergedOcc 0
13 mol 95 unq 0 iso 1 dist 9.64673 15.954 9.74607 10.6733 9.3948 8.00584 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 8.00624 9.82512 6.69691 6.31483 5.51197 5.94312 numMergedOcc 0
15 mol 129 unq 0 iso 1 dist 8.00624 6.31483 5.51197 9.82512 6.69691 5.94312 numMergedOcc 0
16 mol 129 unq 1 iso 0 dist 8.00624 9.82512 6.69691 14.6258 8.86944 5.35495 numMergedOcc 0
17 mol 129 unq 1 iso 1 dist 8.00624 14.6258 8.86944 9.82512 6.69691 5.35495 numMergedOcc 0
18 mol 129 unq 1 iso 0 dist 8.00624 6.31483 5.51197 14.6258 8.86944 9.74141 numMergedOcc 0
19 mol 129 unq 1 iso 1 dist 8.00624 14.6258 8.86944 6.31483 5.51197 9.74141 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 6.48328 9.80637 9.33924 7.07082 7.93372 11.4107 numMergedOcc 0
21 mol 134 unq 0 iso 1 dist 6.48328 7.07082 7.93372 9.80637 9.33924 11.4107 numMergedOcc 0
22 mol 162 unq 0 iso 0 dist 7.69229 6.69138 7.37333 6.82744 7.45998 3.77838 numMergedOcc 0
23 mol 162 unq 0 iso 1 dist 7.69229 6.82744 7.45998 6.69138 7.37333 3.77838 numMergedOcc 0
24 mol 197 unq 0 iso 0 dist 8.67786 6.57766 9.10817 12.3362 9.73548 16.8666 numMergedOcc 0
25 mol 197 unq 0 iso 1 dist 8.67786 12.3362 9.73548 6.57766 9.10817 16.8666 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 6.77368 4.54951 6.74196 10.5815 8.36842 8.10209 numMergedOcc 0
27 mol 222 unq 0 iso 1 dist 6.77368 10.5815 8.36842 4.54951 6.74196 8.10209 numMergedOcc 0
28 mol 222 unq 1 iso 0 dist 6.77368 4.54951 6.74196 10.7456 9.75472 9.49218 numMergedOcc 0
29 mol 222 unq 1 iso 1 dist 6.77368 10.7456 9.75472 4.54951 6.74196 9.49218 numMergedOcc 0
30 mol 222 unq 1 iso 0 dist 6.77368 10.5815 8.36842 10.7456 9.75472 3.53707 numMergedOcc 0
31 mol 222 unq 1 iso 1 dist 6.77368 10.7456 9.75472 10.5815 8.36842 3.53707 numMergedOcc 0
32 mol 222 unq 2 iso 0 dist 7.73634 11.1253 6.74196 5.10026 8.36842 8.10209 numMergedOcc 0
33 mol 222 unq 2 iso 1 dist 7.73634 5.10026 8.36842 11.1253 6.74196 8.10209 numMergedOcc 0
34 mol 222 unq 3 iso 0 dist 7.73634 11.1253 6.74196 5.90399 9.75472 9.49218 numMergedOcc 0
35 mol 222 unq 3 iso 1 dist 7.73634 5.90399 9.75472 11.1253 6.74196 9.49218 numMergedOcc 0
36 mol 222 unq 3 iso 0 dist 7.73634 5.10026 8.36842 5.90399 9.75472 3.53707 numMergedOcc 0
37 mol 222 unq 3 iso 1 dist 7.73634 5.90399 9.75472 5.10026 8.36842 3.53707 numMergedOcc 0
38 mol 277 unq 0 iso 0 dist 4.81916 9.31926 9.35539 13.1828 8.9682 16.9644 numMergedOcc 0
39 mol 277 unq 0 iso 1 dist 4.81916 13.1828 8.9682 9.31926 9.35539 16.9644 numMergedOcc 0
40 mol 277 unq 1 iso 0 dist 4.81916 9.31926 9.35539 10.6994 6.92711 15.8851 numMergedOcc 0
41 mol 277 unq 1 iso 1 dist 4.81916 10.6994 6.92711 9.31926 9.35539 15.8851 numMergedOcc 0
42 mol 277 unq 1 iso 0 dist 4.81916 13.1828 8.9682 10.6994 6.92711 3.39114 numMergedOcc 0
43 mol 277 unq 1 iso 1 dist 4.81916 10.6994 6.92711 13.1828 8.9682 3.39114 numMergedOcc 0
