0 mol 51 unq 0 iso 0 dist 9.37125 9.62591 13.0123 5.49645 9.0709 11.1952 numMergedOcc 0
1 mol 51 unq 1 iso 0 dist 9.37125 9.21142 4.32726 5.49645 9.0709 10.2245 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 7.40411 8.59468 9.78639 11.5553 7.71095 14.024 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 7.40411 8.59468 9.78639 6.31307 8.84665 14.4432 numMergedOcc 0
4 mol 59 unq 2 iso 0 dist 7.40411 8.59468 9.78639 5.76625 8.25513 12.6593 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 7.60252 9.09488 4.03844 7.54416 8.8178 12.4827 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 7.60252 9.09488 4.03844 9.89539 9.96708 12.111 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 8.79958 6.05967 5.31547 8.55171 9.33898 10.9241 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 8.79958 6.05967 5.31547 8.36426 9.64443 9.36001 numMergedOcc 0
9 mol 92 unq 2 iso 0 dist 8.79958 8.30892 4.3481 8.55171 9.33898 7.06939 numMergedOcc 0
10 mol 92 unq 3 iso 0 dist 8.79958 8.30892 4.3481 8.36426 9.64443 12.4681 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 9.90769 8.63902 4.93864 11.0096 7.88289 11.9072 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 9.90769 8.63902 4.93864 10.3117 9.01083 10.5714 numMergedOcc 0
13 mol 95 unq 2 iso 0 dist 9.90769 9.92003 19.8145 11.0096 7.88289 19.1294 numMergedOcc 0
14 mol 95 unq 3 iso 0 dist 9.90769 9.92003 19.8145 10.3117 9.01083 18.0236 numMergedOcc 0
15 mol 95 unq 4 iso 0 dist 9.02255 8.63902 17.6579 5.2048 7.27724 12.5293 numMergedOcc 0
16 mol 95 unq 5 iso 0 dist 9.02255 9.92003 3.94537 5.2048 7.27724 9.3948 numMergedOcc 0
17 mol 95 unq 6 iso 0 dist 7.89797 9.13688 6.12605 4.98369 7.27724 9.74607 numMergedOcc 0
18 mol 95 unq 7 iso 0 dist 6.12086 9.13688 5.06946 13.7041 9.03572 11.97 numMergedOcc 0
19 mol 95 unq 8 iso 0 dist 6.12086 9.13688 5.06946 11.3093 8.83255 13.5721 numMergedOcc 0
20 mol 95 unq 9 iso 0 dist 6.12086 9.13688 5.06946 4.98369 8.03644 9.74607 numMergedOcc 0
21 mol 109 unq 0 iso 0 dist 6.929 8.14262 11.8902 6.28185 8.58044 14.3914 numMergedOcc 0
22 mol 109 unq 1 iso 0 dist 5.8729 7.47769 5.00433 9.80725 8.69985 8.52024 numMergedOcc 0
23 mol 122 unq 0 iso 0 dist 5.94669 7.77481 6.9791 5.89212 8.37808 11.6822 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 5.44721 8.26759 13.0405 5.0869 6.29155 8.77023 numMergedOcc 0
25 mol 142 unq 0 iso 0 dist 6.90378 9.70331 5.36827 8.11604 9.2313 9.13031 numMergedOcc 0
26 mol 142 unq 1 iso 0 dist 6.90378 9.70331 5.36827 5.39629 7.73169 10.7016 numMergedOcc 0
27 mol 142 unq 2 iso 0 dist 6.90378 9.70331 5.36827 5.4779 8.96657 13.5268 numMergedOcc 0
28 mol 142 unq 3 iso 0 dist 7.01955 9.70331 4.00457 8.11604 5.31024 9.13031 numMergedOcc 0
29 mol 142 unq 4 iso 0 dist 7.01955 9.70331 4.00457 5.39629 7.26382 10.7016 numMergedOcc 0
30 mol 175 unq 0 iso 0 dist 6.94119 5.97221 5.00913 12.4052 9.0018 13.6764 numMergedOcc 0
31 mol 175 unq 1 iso 0 dist 6.94119 5.97221 5.00913 6.11854 7.652 10.1305 numMergedOcc 0
32 mol 175 unq 2 iso 0 dist 6.94119 8.75176 5.42675 12.4052 9.0018 14.3303 numMergedOcc 0
33 mol 175 unq 3 iso 0 dist 6.94119 8.75176 5.42675 6.11854 7.652 12.2424 numMergedOcc 0
34 mol 182 unq 0 iso 0 dist 9.92736 7.91599 4.88992 14.6185 9.31746 13.5224 numMergedOcc 0
35 mol 224 unq 0 iso 0 dist 6.7946 9.04309 4.54188 6.32915 5.81334 6.8692 numMergedOcc 0
36 mol 231 unq 0 iso 0 dist 6.52115 7.60847 4.15084 12.4148 7.37839 9.97669 numMergedOcc 0
37 mol 231 unq 1 iso 0 dist 6.52115 7.60847 4.15084 14.0894 8.40182 11.4076 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 7.9828 5.27355 6.73882 7.97488 8.53687 9.07743 numMergedOcc 0
39 mol 259 unq 1 iso 0 dist 9.07855 5.51962 8.81358 15.5856 7.46176 14.6185 numMergedOcc 0
40 mol 259 unq 2 iso 0 dist 8.73296 5.27355 5.81576 6.69309 9.18903 7.66153 numMergedOcc 0
41 mol 277 unq 0 iso 0 dist 8.61945 8.7538 3.97543 9.21781 9.7748 12.1398 numMergedOcc 0
