0 mol 16 unq 0 iso 0 dist 7.46752 5.66097 7.63133 10.8592 10.8455 6.31718 12.8674 9.81307 8.43054 4.65873 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.85331 9.20254 6.86014 10.4452 10.0952 8.86116 8.14598 5.69214 7.95042 5.11636 numMergedOcc 0
2 mol 60 unq 0 iso 0 dist 8.8058 12.5818 6.43294 17.8366 10.6819 6.65595 12.3852 8.62476 7.57295 7.80499 numMergedOcc 0
3 mol 60 unq 1 iso 0 dist 8.8058 12.5818 6.43294 17.4408 11.3621 9.25011 12.3852 8.62476 7.57295 5.6397 numMergedOcc 0
4 mol 60 unq 2 iso 0 dist 8.8058 12.5818 6.43294 12.1949 5.51199 8.52121 12.3852 8.62476 7.57295 6.55502 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 9.22376 3.85308 7.66905 11.7729 10.7229 7.95579 10.8478 5.59906 7.7068 6.36397 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 9.22376 3.85308 7.66905 9.8682 6.9948 6.19965 10.8478 5.59906 7.7068 4.41789 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 9.40559 11.8978 8.03644 18.3849 16.6055 9.03572 15.1845 15.6249 8.27883 4.99174 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 9.40559 11.8978 8.03644 18.3849 16.6055 9.03572 15.1965 12.4896 5.75428 4.46005 numMergedOcc 0
9 mol 95 unq 2 iso 0 dist 9.40559 11.8978 8.03644 18.3849 16.6055 9.03572 20.1016 14.2178 8.57395 8.28518 numMergedOcc 0
10 mol 95 unq 3 iso 0 dist 9.40559 11.8978 8.03644 18.3849 16.6055 9.03572 17.7481 8.78079 9.85409 15.917 numMergedOcc 0
11 mol 95 unq 4 iso 0 dist 9.40559 11.8978 8.03644 15.9184 13.8105 8.83255 15.1845 15.6249 8.27883 8.67311 numMergedOcc 0
12 mol 95 unq 5 iso 0 dist 9.40559 11.8978 8.03644 15.9184 13.8105 8.83255 15.1965 12.4896 5.75428 3.94293 numMergedOcc 0
13 mol 95 unq 6 iso 0 dist 9.40559 11.8978 8.03644 15.9184 13.8105 8.83255 20.1016 14.2178 8.57395 9.22202 numMergedOcc 0
14 mol 95 unq 7 iso 0 dist 9.40559 11.8978 8.03644 15.9184 13.8105 8.83255 17.7481 8.78079 9.85409 13.7484 numMergedOcc 0
15 mol 95 unq 8 iso 0 dist 8.26838 15.4217 8.03644 15.3713 8.41707 7.27724 18.674 11.3215 9.3948 3.94537 numMergedOcc 0
16 mol 95 unq 9 iso 0 dist 8.26838 15.4217 8.03644 15.3713 8.41707 7.27724 11.3773 5.06946 9.74607 6.12605 numMergedOcc 0
17 mol 100 unq 0 iso 0 dist 9.57498 6.89762 6.45675 10.0165 5.33144 7.47343 13.3196 5.43561 7.82475 5.9143 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 9.57498 6.89762 6.45675 10.0165 5.33144 7.47343 11.3211 6.30222 5.35782 5.47563 numMergedOcc 0
19 mol 100 unq 2 iso 0 dist 9.57498 6.89762 6.45675 15.6218 9.71151 8.86688 13.3196 5.43561 7.82475 5.25234 numMergedOcc 0
20 mol 100 unq 3 iso 0 dist 9.57498 6.89762 6.45675 15.6218 9.71151 8.86688 11.3211 6.30222 5.35782 5.03232 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 7.44784 7.64822 7.30858 12.7842 10.8507 5.83991 14.5979 10.3209 7.69765 4.48636 numMergedOcc 0
22 mol 115 unq 1 iso 0 dist 7.44784 7.64822 7.30858 12.7842 10.8507 5.83991 14.1895 15.3161 9.42082 6.63111 numMergedOcc 0
23 mol 115 unq 2 iso 0 dist 7.44784 7.64822 7.30858 9.56867 11.5723 7.88312 14.5979 10.3209 7.69765 11.835 numMergedOcc 0
24 mol 115 unq 3 iso 0 dist 7.44784 7.64822 7.30858 9.56867 11.5723 7.88312 14.1895 15.3161 9.42082 6.07067 numMergedOcc 0
25 mol 115 unq 4 iso 0 dist 9.56867 9.97256 6.11741 12.7842 8.02349 9.33865 14.1895 6.07067 6.39384 6.63111 numMergedOcc 0
26 mol 115 unq 5 iso 0 dist 9.56867 7.64822 7.88312 7.44784 11.5723 7.30858 14.5979 11.835 7.69765 10.3209 numMergedOcc 0
27 mol 115 unq 6 iso 0 dist 9.56867 7.64822 7.88312 7.44784 11.5723 7.30858 14.1895 6.07067 9.42082 15.3161 numMergedOcc 0
28 mol 115 unq 7 iso 0 dist 9.56867 7.64822 7.88312 12.7842 8.02349 5.83991 14.5979 11.835 7.69765 4.48636 numMergedOcc 0
29 mol 115 unq 8 iso 0 dist 9.56867 7.64822 7.88312 12.7842 8.02349 5.83991 14.1895 6.07067 9.42082 6.63111 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 7.15203 9.71227 8.22656 11.0475 5.61668 6.82262 9.7105 6.9945 7.22643 4.19723 numMergedOcc 0
31 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 10.738 5.49782 8.94367 16.1624 10.8635 9.33094 7.41373 numMergedOcc 0
32 mol 134 unq 1 iso 0 dist 5.67862 9.52819 6.37586 7.97208 5.00817 6.49416 16.1624 10.8635 9.33094 12.3479 numMergedOcc 0
33 mol 134 unq 2 iso 0 dist 5.67862 12.4156 9.71307 10.738 5.49782 9.86662 19.6139 15.0225 9.1998 12.8086 numMergedOcc 0
34 mol 134 unq 3 iso 0 dist 5.67862 12.4156 9.71307 10.738 5.49782 9.86662 16.1624 10.8635 8.69531 7.41373 numMergedOcc 0
35 mol 134 unq 4 iso 0 dist 7.97208 9.52819 6.49416 10.738 8.80819 8.94367 16.1624 12.3479 9.33094 7.41373 numMergedOcc 0
36 mol 134 unq 5 iso 0 dist 7.97208 9.52819 6.49416 5.67862 5.00817 6.37586 16.1624 12.3479 9.33094 10.8635 numMergedOcc 0
37 mol 181 unq 0 iso 0 dist 9.63295 12.5935 7.63312 13.3844 8.85576 7.81386 17.7213 10.6474 6.64173 6.8757 numMergedOcc 0
38 mol 181 unq 1 iso 0 dist 9.63295 12.5935 7.63312 13.3844 8.85576 7.81386 8.39573 5.93724 9.01624 5.71898 numMergedOcc 0
39 mol 181 unq 2 iso 0 dist 9.63295 12.5935 7.63312 13.3844 8.85576 7.81386 11.1521 5.12833 9.55105 5.83796 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 6.96379 10.908 8.13497 14.2826 10.582 8.53687 15.148 8.8603 9.07743 6.73882 numMergedOcc 0
41 mol 259 unq 1 iso 0 dist 6.96379 12.7595 7.88519 11.7889 4.86771 7.84554 13.0667 7.20604 9.63573 5.05362 numMergedOcc 0
42 mol 259 unq 2 iso 0 dist 6.96379 12.7595 7.88519 11.7889 4.86771 7.84554 15.148 8.8603 7.66153 5.8801 numMergedOcc 0
43 mol 259 unq 3 iso 0 dist 6.96379 12.7595 7.88519 11.1532 6.96053 7.46176 13.0667 7.20604 9.63573 5.21606 numMergedOcc 0
44 mol 259 unq 4 iso 0 dist 6.96379 12.7595 7.88519 11.1532 6.96053 7.46176 15.148 8.8603 7.66153 11.8896 numMergedOcc 0
45 mol 259 unq 5 iso 0 dist 6.96379 12.7595 7.88519 17.4423 10.4881 9.18903 13.0667 7.20604 9.63573 7.46841 numMergedOcc 0
46 mol 259 unq 6 iso 0 dist 6.96379 12.7595 7.88519 17.4423 10.4881 9.18903 15.148 8.8603 7.66153 5.81576 numMergedOcc 0
