0 mol 7 unq 0 iso 0 dist 9.84857 7.62195 8.41173 13.472 10.1841 7.38748 14.3693 13.1033 9.96415 4.65291 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 9.06225 8.04327 7.02854 8.92491 5.22567 5.73235 13.408 8.66335 6.14248 6.1999 numMergedOcc 0
2 mol 129 unq 0 iso 0 dist 8.63018 5.0466 7.07421 6.65878 5.06265 7.6453 8.09774 4.79473 8.85652 6.31483 numMergedOcc 0
3 mol 129 unq 1 iso 0 dist 8.63018 5.0466 7.07421 6.65878 5.06265 7.6453 11.4776 5.04019 9.31543 9.82512 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 6.85651 14.0828 7.50126 6.9268 5.35551 9.2759 10.2321 5.30466 5.9959 4.85121 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 7.03858 11.5586 7.50126 8.19166 5.35551 9.2759 10.9863 5.30466 5.9959 4.85121 numMergedOcc 0
6 mol 133 unq 2 iso 0 dist 5.68599 5.57746 5.12189 11.9103 10.8516 9.2759 9.76097 6.95933 5.9959 4.85121 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 9.49104 8.22726 5.33543 15.9043 10.6104 9.88178 9.13697 4.56331 5.20195 7.45747 numMergedOcc 0
8 mol 162 unq 0 iso 0 dist 8.77869 15.3374 8.954 16.3072 7.84996 6.59407 13.7027 5.09521 6.51243 3.95884 numMergedOcc 0
9 mol 226 unq 0 iso 0 dist 8.10096 6.92911 7.20862 15.606 12.3908 8.74399 14.8729 13.7904 8.31266 5.27153 numMergedOcc 0
10 mol 239 unq 0 iso 0 dist 8.68803 6.54316 9.59937 4.53228 5.94643 7.58554 7.96523 3.80345 7.98794 7.26668 numMergedOcc 0
11 mol 259 unq 0 iso 0 dist 7.97113 6.92619 8.91916 11.0717 6.40534 8.54422 4.95855 10.2743 8.40328 11.0103 numMergedOcc 0
12 mol 259 unq 1 iso 0 dist 7.97113 6.92619 8.91916 11.0717 6.40534 8.54422 7.72489 11.46 8.2518 10.099 numMergedOcc 0
13 mol 259 unq 2 iso 0 dist 7.97113 6.92619 8.91916 10.5924 9.57286 7.67473 4.95855 10.2743 8.40328 8.71577 numMergedOcc 0
14 mol 259 unq 3 iso 0 dist 7.97113 6.92619 8.91916 10.5924 9.57286 7.67473 7.72489 11.46 8.2518 6.47425 numMergedOcc 0
15 mol 259 unq 4 iso 0 dist 5.22111 6.92619 4.55368 11.0717 6.14631 8.54422 4.95855 7.06301 8.40328 11.0103 numMergedOcc 0
16 mol 259 unq 5 iso 0 dist 5.22111 6.92619 4.55368 11.0717 6.14631 8.54422 7.72489 7.80863 8.2518 10.099 numMergedOcc 0
17 mol 259 unq 6 iso 0 dist 5.22111 6.92619 4.55368 10.5924 6.89689 7.67473 4.95855 7.06301 8.40328 8.71577 numMergedOcc 0
18 mol 259 unq 7 iso 0 dist 5.22111 6.92619 4.55368 10.5924 6.89689 7.67473 7.72489 7.80863 8.2518 6.47425 numMergedOcc 0
19 mol 259 unq 8 iso 0 dist 8.38479 11.3266 8.91916 13.7519 6.40534 8.54422 9.18435 10.2743 8.40328 11.0103 numMergedOcc 0
20 mol 259 unq 9 iso 0 dist 8.38479 11.3266 8.91916 13.7519 6.40534 8.54422 12.3606 11.46 8.2518 10.099 numMergedOcc 0
21 mol 259 unq 10 iso 0 dist 8.38479 11.3266 8.91916 14.6605 9.57286 7.67473 9.18435 10.2743 8.40328 8.71577 numMergedOcc 0
22 mol 259 unq 11 iso 0 dist 8.38479 11.3266 8.91916 14.6605 9.57286 7.67473 12.3606 11.46 8.2518 6.47425 numMergedOcc 0
23 mol 259 unq 12 iso 0 dist 8.53598 11.3266 4.55368 13.7519 6.14631 8.54422 9.18435 7.06301 8.40328 11.0103 numMergedOcc 0
24 mol 259 unq 13 iso 0 dist 8.53598 11.3266 4.55368 13.7519 6.14631 8.54422 12.3606 7.80863 8.2518 10.099 numMergedOcc 0
25 mol 259 unq 14 iso 0 dist 8.53598 11.3266 4.55368 14.6605 6.89689 7.67473 9.18435 7.06301 8.40328 8.71577 numMergedOcc 0
26 mol 259 unq 15 iso 0 dist 8.53598 11.3266 4.55368 14.6605 6.89689 7.67473 12.3606 7.80863 8.2518 6.47425 numMergedOcc 0
27 mol 283 unq 0 iso 0 dist 7.90132 5.37953 7.53773 12.7983 6.85055 9.243 13.7785 14.4652 9.83098 13.1215 numMergedOcc 0
