0 mol 21 unq 0 iso 0 dist 5.93898 4.8024 7.1764 10.6971 6.28263 9.81757 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 7.95042 5.86882 8.21811 8.52463 5.80953 11.3314 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 7.95042 9.9259 5.13078 8.52463 5.80953 3.4435 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.87744 10.576 4.90881 6.38336 4.5711 4.21221 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 8.87744 8.94148 9.39956 6.38336 4.5711 5.85158 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 7.27472 11.7026 8.70016 6.38336 4.44526 12.6622 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 7.27472 11.7026 8.70016 6.7828 9.586 7.63657 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 7.27472 10.576 6.15382 6.38336 4.44526 4.21221 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 7.27472 10.576 6.15382 6.7828 9.586 14.8922 numMergedOcc 0
9 mol 24 unq 8 iso 0 dist 7.27472 6.39013 6.63216 6.38336 4.44526 3.72191 numMergedOcc 0
10 mol 24 unq 9 iso 0 dist 7.27472 6.39013 6.63216 6.7828 9.586 10.7324 numMergedOcc 0
11 mol 26 unq 0 iso 0 dist 9.12845 9.0558 8.13863 6.04762 6.81793 5.60677 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 9.73086 8.00278 8.95637 5.11416 6.14542 4.10173 numMergedOcc 0
13 mol 73 unq 1 iso 0 dist 7.4369 10.4159 8.95637 6.56633 6.14542 4.10173 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 7.06939 11.3241 8.806 9.44576 6.87506 4.2144 numMergedOcc 0
15 mol 112 unq 0 iso 0 dist 7.7988 5.2438 5.64143 6.41459 8.06134 9.55341 numMergedOcc 0
16 mol 112 unq 1 iso 0 dist 7.7988 5.2438 5.64143 7.64054 5.36587 8.7368 numMergedOcc 0
17 mol 112 unq 2 iso 0 dist 9.40824 6.69579 5.64143 7.18484 8.06134 9.55341 numMergedOcc 0
18 mol 112 unq 3 iso 0 dist 9.40824 6.69579 5.64143 10.9474 5.36587 8.7368 numMergedOcc 0
19 mol 112 unq 4 iso 0 dist 4.22363 6.68847 5.64143 4.35926 8.06134 9.55341 numMergedOcc 0
20 mol 112 unq 5 iso 0 dist 4.22363 6.68847 5.64143 5.76098 5.36587 8.7368 numMergedOcc 0
21 mol 119 unq 0 iso 0 dist 8.95212 7.36889 4.22806 5.13589 8.67537 6.65893 numMergedOcc 0
22 mol 119 unq 1 iso 0 dist 6.99446 4.55137 4.22806 10.8661 8.67537 6.65893 numMergedOcc 0
23 mol 119 unq 2 iso 0 dist 7.64052 6.42493 4.22806 12.0175 8.67537 6.65893 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 8.77023 5.58281 5.47256 4.54648 8.83732 5.21958 numMergedOcc 0
25 mol 167 unq 0 iso 0 dist 6.84752 11.8729 9.12343 4.64019 8.86449 9.54471 numMergedOcc 0
26 mol 167 unq 1 iso 0 dist 7.86563 9.01215 9.12343 5.90938 8.86449 9.54471 numMergedOcc 0
27 mol 167 unq 2 iso 0 dist 7.02548 12.6156 9.12343 7.08726 8.86449 9.54471 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 8.73533 10.2942 9.61582 7.30024 9.45907 4.04186 numMergedOcc 0
29 mol 227 unq 0 iso 0 dist 5.23634 6.16261 8.60053 6.35849 9.18728 5.78036 numMergedOcc 0
30 mol 227 unq 1 iso 0 dist 5.23634 6.16261 8.60053 10.9607 8.91971 14.7628 numMergedOcc 0
31 mol 227 unq 2 iso 0 dist 6.91318 11.3848 8.60053 10.204 9.18728 5.78036 numMergedOcc 0
32 mol 227 unq 3 iso 0 dist 6.91318 11.3848 8.60053 9.72615 8.91971 14.7628 numMergedOcc 0
33 mol 239 unq 0 iso 0 dist 6.73665 11.1638 9.24224 11.169 8.95511 3.88767 numMergedOcc 0
34 mol 239 unq 1 iso 0 dist 6.73665 11.1638 9.24224 5.88931 5.85002 14.3169 numMergedOcc 0
35 mol 239 unq 2 iso 0 dist 9.34438 17.8983 9.24224 18.2672 8.95511 3.88767 numMergedOcc 0
36 mol 239 unq 3 iso 0 dist 9.34438 17.8983 9.24224 6.22471 5.85002 14.3169 numMergedOcc 0
37 mol 239 unq 4 iso 0 dist 9.35949 11.656 9.24224 13.9678 8.95511 3.88767 numMergedOcc 0
38 mol 239 unq 5 iso 0 dist 9.35949 11.656 9.24224 9.88845 5.85002 14.3169 numMergedOcc 0
39 mol 252 unq 0 iso 0 dist 7.15764 3.6688 9.03266 6.35641 8.09509 9.96528 numMergedOcc 0
40 mol 273 unq 0 iso 0 dist 6.31969 4.01113 5.3725 7.81483 5.61969 9.23974 numMergedOcc 0
41 mol 273 unq 1 iso 0 dist 6.31969 4.01113 5.3725 7.92179 9.0277 10.9233 numMergedOcc 0
