0 mol 15 unq 0 iso 0 dist 8.85174 10.1154 6.23015 11.4081 10.5167 9.41935 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 8.111 10.7396 8.60614 11.6582 4.2996 7.38744 numMergedOcc 0
2 mol 21 unq 0 iso 0 dist 5.93898 10.6971 6.28263 9.35137 4.32991 6.61889 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 7.95042 8.52463 5.80953 10.8237 6.46192 6.23824 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 5.68215 5.11617 6.61696 9.40259 5.97274 6.23824 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 9.17838 8.82805 6.07052 13.8672 9.7211 6.54699 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 9.55118 11.6378 7.58875 13.6124 4.81856 8.66571 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 9.90751 6.12107 7.81446 4.5985 10.3433 8.95014 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 8.91882 6.71012 6.55173 12.5743 8.59989 8.95014 numMergedOcc 0
9 mol 100 unq 2 iso 0 dist 8.91882 5.80144 6.59691 12.5743 8.59989 6.84692 numMergedOcc 0
10 mol 100 unq 3 iso 0 dist 9.21662 6.12107 6.55173 4.5985 8.59989 8.95014 numMergedOcc 0
11 mol 100 unq 4 iso 0 dist 9.21662 5.42531 6.59691 4.5985 8.59989 6.84692 numMergedOcc 0
12 mol 105 unq 0 iso 0 dist 9.16718 11.0132 7.77089 16.6111 11.1088 6.50724 numMergedOcc 0
13 mol 105 unq 1 iso 0 dist 7.94633 9.96719 7.77089 13.7135 11.1088 6.50724 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 8.77023 4.54648 8.83732 4.51266 13.2024 6.49688 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 9.10524 6.98221 7.83568 6.50009 4.20094 7.20601 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 9.00918 14.2198 7.83568 12.2509 4.20094 7.20601 numMergedOcc 0
17 mol 170 unq 0 iso 0 dist 9.08274 9.275 6.47164 6.36868 5.40635 8.20406 numMergedOcc 0
18 mol 170 unq 1 iso 0 dist 9.08274 9.275 6.47164 13.465 6.09207 7.19802 numMergedOcc 0
19 mol 170 unq 2 iso 0 dist 9.08274 9.275 6.47164 14.9766 9.84933 7.75807 numMergedOcc 0
20 mol 170 unq 3 iso 0 dist 9.51256 4.34698 6.47164 10.4619 5.40635 8.20406 numMergedOcc 0
21 mol 170 unq 4 iso 0 dist 9.51256 4.34698 6.47164 11.5324 6.09207 7.19802 numMergedOcc 0
22 mol 170 unq 5 iso 0 dist 9.51256 4.34698 6.47164 11.7022 9.84933 7.75807 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 9.76212 4.43096 7.35884 12.0793 4.46602 8.91675 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 8.59874 6.06566 7.35884 12.2582 4.46602 8.91675 numMergedOcc 0
25 mol 181 unq 2 iso 0 dist 6.64173 5.63555 8.12266 8.47008 7.11838 6.2176 numMergedOcc 0
26 mol 181 unq 3 iso 0 dist 9.55105 5.63555 9.43306 8.47008 5.42919 6.2176 numMergedOcc 0
27 mol 188 unq 0 iso 0 dist 7.88013 8.77113 8.66624 14.6394 10.8586 6.65177 numMergedOcc 0
28 mol 198 unq 0 iso 0 dist 9.31526 9.73871 8.63279 5.82585 5.02597 6.50352 numMergedOcc 0
29 mol 234 unq 0 iso 0 dist 7.81215 10.0059 7.77911 6.35438 4.76962 9.38888 numMergedOcc 0
30 mol 234 unq 1 iso 0 dist 5.64285 5.08515 7.77911 9.57132 4.76962 9.38888 numMergedOcc 0
31 mol 239 unq 0 iso 0 dist 6.73665 11.169 8.95511 5.45139 7.77371 6.85567 numMergedOcc 0
32 mol 239 unq 1 iso 0 dist 9.34438 18.2672 8.95511 15.6017 7.77371 6.85567 numMergedOcc 0
33 mol 239 unq 2 iso 0 dist 9.35949 13.9678 8.95511 11.2051 7.77371 6.85567 numMergedOcc 0
34 mol 252 unq 0 iso 0 dist 7.15764 6.35641 8.09509 10.8046 4.44255 9.13983 numMergedOcc 0
35 mol 273 unq 0 iso 0 dist 9.59325 4.60101 6.35532 9.82018 4.04219 6.83684 numMergedOcc 0
36 mol 274 unq 0 iso 0 dist 9.30212 9.5468 7.77765 15.7342 13.3529 7.1364 numMergedOcc 0
37 mol 274 unq 1 iso 0 dist 6.4611 9.5468 9.65868 15.7342 13.7073 7.1364 numMergedOcc 0
38 mol 274 unq 2 iso 0 dist 6.4611 6.70925 8.60027 11.6681 12.616 5.0002 numMergedOcc 0
