0 mol 11 unq 0 iso 0 dist 6.49709 4.4067 8.68293 13.2938 6.84216 14.8738 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 6.49709 13.2938 6.84216 4.4067 8.68293 14.8738 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 5.36895 6.85618 9.17982 8.25624 9.62869 8.4027 numMergedOcc 0
3 mol 41 unq 0 iso 1 dist 5.36895 8.25624 9.62869 6.85618 9.17982 8.4027 numMergedOcc 0
4 mol 41 unq 1 iso 0 dist 5.36895 6.85618 9.17982 5.36021 6.40219 4.89793 numMergedOcc 0
5 mol 41 unq 1 iso 1 dist 5.36895 5.36021 6.40219 6.85618 9.17982 4.89793 numMergedOcc 0
6 mol 41 unq 1 iso 0 dist 5.36895 8.25624 9.62869 5.36021 6.40219 10.876 numMergedOcc 0
7 mol 41 unq 1 iso 1 dist 5.36895 5.36021 6.40219 8.25624 9.62869 10.876 numMergedOcc 0
8 mol 111 unq 0 iso 0 dist 6.34542 11.2375 9.06601 6.87591 5.98809 8.72808 numMergedOcc 0
9 mol 111 unq 0 iso 1 dist 6.34542 6.87591 5.98809 11.2375 9.06601 8.72808 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 9.70016 13.586 9.59585 5.90637 9.7073 9.78508 numMergedOcc 0
11 mol 113 unq 0 iso 1 dist 9.70016 5.90637 9.7073 13.586 9.59585 9.78508 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 5.06555 8.14689 6.42623 5.74365 8.95899 8.68088 numMergedOcc 0
13 mol 120 unq 0 iso 1 dist 5.06555 5.74365 8.95899 8.14689 6.42623 8.68088 numMergedOcc 0
14 mol 163 unq 0 iso 0 dist 7.75045 11.5774 9.90947 10.9436 8.16252 3.25368 numMergedOcc 0
15 mol 163 unq 0 iso 1 dist 7.75045 10.9436 8.16252 11.5774 9.90947 3.25368 numMergedOcc 0
16 mol 169 unq 0 iso 0 dist 6.28961 12.9917 9.37946 12.2955 9.13646 9.48187 numMergedOcc 0
17 mol 169 unq 0 iso 1 dist 6.28961 12.2955 9.13646 12.9917 9.37946 9.48187 numMergedOcc 0
18 mol 169 unq 1 iso 0 dist 6.28961 12.9917 9.37946 11.6543 8.34216 12.9271 numMergedOcc 0
19 mol 169 unq 1 iso 1 dist 6.28961 11.6543 8.34216 12.9917 9.37946 12.9271 numMergedOcc 0
20 mol 169 unq 1 iso 0 dist 6.28961 12.2955 9.13646 11.6543 8.34216 5.14059 numMergedOcc 0
21 mol 169 unq 1 iso 1 dist 6.28961 11.6543 8.34216 12.2955 9.13646 5.14059 numMergedOcc 0
22 mol 213 unq 0 iso 0 dist 9.73691 6.56215 9.09354 9.18934 4.66576 11.4531 numMergedOcc 0
23 mol 213 unq 0 iso 1 dist 9.73691 9.18934 4.66576 6.56215 9.09354 11.4531 numMergedOcc 0
24 mol 231 unq 0 iso 0 dist 6.02527 11.6594 9.9868 7.54254 7.3268 13.1222 numMergedOcc 0
25 mol 231 unq 0 iso 1 dist 6.02527 7.54254 7.3268 11.6594 9.9868 13.1222 numMergedOcc 0
26 mol 232 unq 0 iso 0 dist 7.57253 11.393 8.25985 7.05941 9.27788 6.61868 numMergedOcc 0
27 mol 232 unq 0 iso 1 dist 7.57253 7.05941 9.27788 11.393 8.25985 6.61868 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 7.23956 9.7252 4.9764 10.5201 6.36559 3.41319 numMergedOcc 0
29 mol 277 unq 0 iso 1 dist 7.23956 10.5201 6.36559 9.7252 4.9764 3.41319 numMergedOcc 0
30 mol 281 unq 0 iso 0 dist 9.27716 7.60311 5.50053 11.1675 7.33334 3.77058 numMergedOcc 0
31 mol 281 unq 0 iso 1 dist 9.27716 11.1675 7.33334 7.60311 5.50053 3.77058 numMergedOcc 0
32 mol 285 unq 0 iso 0 dist 9.82717 13.5711 6.71946 17.9142 8.28061 9.00617 numMergedOcc 0
33 mol 285 unq 0 iso 1 dist 9.82717 17.9142 8.28061 13.5711 6.71946 9.00617 numMergedOcc 0
34 mol 285 unq 1 iso 0 dist 9.82717 13.5711 6.71946 13.8352 5.03601 7.33055 numMergedOcc 0
35 mol 285 unq 1 iso 1 dist 9.82717 13.8352 5.03601 13.5711 6.71946 7.33055 numMergedOcc 0
36 mol 285 unq 1 iso 0 dist 9.82717 17.9142 8.28061 13.8352 5.03601 4.55612 numMergedOcc 0
37 mol 285 unq 1 iso 1 dist 9.82717 13.8352 5.03601 17.9142 8.28061 4.55612 numMergedOcc 0
38 mol 285 unq 2 iso 0 dist 8.33653 7.76515 6.71946 5.12725 8.28061 9.00617 numMergedOcc 0
39 mol 285 unq 2 iso 1 dist 8.33653 5.12725 8.28061 7.76515 6.71946 9.00617 numMergedOcc 0
40 mol 285 unq 3 iso 0 dist 8.33653 7.76515 6.71946 7.52611 5.03601 7.33055 numMergedOcc 0
41 mol 285 unq 3 iso 1 dist 8.33653 7.52611 5.03601 7.76515 6.71946 7.33055 numMergedOcc 0
42 mol 285 unq 3 iso 0 dist 8.33653 5.12725 8.28061 7.52611 5.03601 4.55612 numMergedOcc 0
43 mol 285 unq 3 iso 1 dist 8.33653 7.52611 5.03601 5.12725 8.28061 4.55612 numMergedOcc 0
44 mol 285 unq 4 iso 0 dist 6.44657 11.6832 6.71946 6.73715 8.28061 9.00617 numMergedOcc 0
45 mol 285 unq 4 iso 1 dist 6.44657 6.73715 8.28061 11.6832 6.71946 9.00617 numMergedOcc 0
46 mol 285 unq 5 iso 0 dist 6.44657 11.6832 6.71946 5.32175 5.03601 7.33055 numMergedOcc 0
47 mol 285 unq 5 iso 1 dist 6.44657 5.32175 5.03601 11.6832 6.71946 7.33055 numMergedOcc 0
48 mol 285 unq 5 iso 0 dist 6.44657 6.73715 8.28061 5.32175 5.03601 4.55612 numMergedOcc 0
49 mol 285 unq 5 iso 1 dist 6.44657 5.32175 5.03601 6.73715 8.28061 4.55612 numMergedOcc 0
