0 mol 41 unq 0 iso 0 dist 4.68793 7.64235 6.59294 6.00623 5.62412 4.51323 numMergedOcc 0
1 mol 41 unq 0 iso 1 dist 4.68793 6.00623 5.62412 7.64235 6.59294 4.51323 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 4.68793 7.64235 6.59294 6.59367 5.0364 9.41248 numMergedOcc 0
3 mol 41 unq 1 iso 1 dist 4.68793 6.59367 5.0364 7.64235 6.59294 9.41248 numMergedOcc 0
4 mol 41 unq 1 iso 0 dist 4.68793 6.00623 5.62412 6.59367 5.0364 5.84315 numMergedOcc 0
5 mol 41 unq 1 iso 1 dist 4.68793 6.59367 5.0364 6.00623 5.62412 5.84315 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 8.125 6.28472 5.007 8.74881 11.3449 6.54926 numMergedOcc 0
7 mol 56 unq 0 iso 1 dist 8.125 8.74881 11.3449 6.28472 5.007 6.54926 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 9.7754 8.18002 13.6262 7.07032 6.65054 8.15249 numMergedOcc 0
9 mol 68 unq 0 iso 1 dist 9.7754 7.07032 6.65054 8.18002 13.6262 8.15249 numMergedOcc 0
10 mol 71 unq 0 iso 0 dist 8.21553 6.59302 9.06307 9.93626 11.3111 10.8132 numMergedOcc 0
11 mol 71 unq 0 iso 1 dist 8.21553 9.93626 11.3111 6.59302 9.06307 10.8132 numMergedOcc 0
12 mol 71 unq 1 iso 0 dist 8.22762 6.59302 7.31251 9.93626 5.11959 10.8132 numMergedOcc 0
13 mol 71 unq 1 iso 1 dist 8.22762 9.93626 5.11959 6.59302 7.31251 10.8132 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 6.30103 8.15236 6.93027 8.24447 11.145 11.4407 numMergedOcc 0
15 mol 92 unq 0 iso 1 dist 6.30103 8.24447 11.145 8.15236 6.93027 11.4407 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 8.32829 6.49786 9.28746 8.43154 13.0583 4.84512 numMergedOcc 0
17 mol 186 unq 0 iso 1 dist 8.32829 8.43154 13.0583 6.49786 9.28746 4.84512 numMergedOcc 0
18 mol 228 unq 0 iso 0 dist 9.4597 4.55699 8.6798 7.75418 6.67162 4.81304 numMergedOcc 0
19 mol 228 unq 0 iso 1 dist 9.4597 7.75418 6.67162 4.55699 8.6798 4.81304 numMergedOcc 0
20 mol 228 unq 1 iso 0 dist 9.4597 4.55699 8.6798 8.10816 5.37846 8.57673 numMergedOcc 0
21 mol 228 unq 1 iso 1 dist 9.4597 8.10816 5.37846 4.55699 8.6798 8.57673 numMergedOcc 0
22 mol 228 unq 1 iso 0 dist 9.4597 7.75418 6.67162 8.10816 5.37846 9.53834 numMergedOcc 0
23 mol 228 unq 1 iso 1 dist 9.4597 8.10816 5.37846 7.75418 6.67162 9.53834 numMergedOcc 0
24 mol 228 unq 2 iso 0 dist 9.29603 7.95486 5.03713 4.42593 8.37385 8.22089 numMergedOcc 0
25 mol 228 unq 2 iso 1 dist 9.29603 4.42593 8.37385 7.95486 5.03713 8.22089 numMergedOcc 0
26 mol 228 unq 3 iso 0 dist 9.29603 7.95486 5.03713 7.33564 6.40555 9.05292 numMergedOcc 0
27 mol 228 unq 3 iso 1 dist 9.29603 7.33564 6.40555 7.95486 5.03713 9.05292 numMergedOcc 0
28 mol 228 unq 3 iso 0 dist 9.29603 4.42593 8.37385 7.33564 6.40555 4.63957 numMergedOcc 0
29 mol 228 unq 3 iso 1 dist 9.29603 7.33564 6.40555 4.42593 8.37385 4.63957 numMergedOcc 0
30 mol 236 unq 0 iso 0 dist 6.73134 5.77356 6.40312 9.24309 6.2568 7.88539 numMergedOcc 0
31 mol 236 unq 0 iso 1 dist 6.73134 9.24309 6.2568 5.77356 6.40312 7.88539 numMergedOcc 0
32 mol 273 unq 0 iso 0 dist 6.54753 6.59786 4.89568 7.96519 11.5447 7.54268 numMergedOcc 0
33 mol 273 unq 0 iso 1 dist 6.54753 7.96519 11.5447 6.59786 4.89568 7.54268 numMergedOcc 0
34 mol 287 unq 0 iso 0 dist 7.30618 8.40198 4.62998 9.95761 12.5126 14.0321 numMergedOcc 0
35 mol 287 unq 0 iso 1 dist 7.30618 9.95761 12.5126 8.40198 4.62998 14.0321 numMergedOcc 0
36 mol 288 unq 0 iso 0 dist 7.30618 8.40198 4.62998 9.95761 12.5126 14.0321 numMergedOcc 0
37 mol 288 unq 0 iso 1 dist 7.30618 9.95761 12.5126 8.40198 4.62998 14.0321 numMergedOcc 0
38 mol 289 unq 0 iso 0 dist 7.30618 8.40198 4.62998 9.95761 12.5126 14.0321 numMergedOcc 0
39 mol 289 unq 0 iso 1 dist 7.30618 9.95761 12.5126 8.40198 4.62998 14.0321 numMergedOcc 0
40 mol 293 unq 0 iso 0 dist 8.78835 5.88449 4.74164 7.2668 7.0683 7.08365 numMergedOcc 0
41 mol 293 unq 0 iso 1 dist 8.78835 7.2668 7.0683 5.88449 4.74164 7.08365 numMergedOcc 0
