0 mol 7 unq 0 iso 0 dist 9.04663 6.70503 8.80762 16.4259 8.45544 12.8323 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 8.70353 11.6619 8.63486 12.528 5.07125 6.15355 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 6.48339 5.44752 8.64015 4.80894 7.17026 6.08003 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 9.71837 7.33832 6.61823 3.91176 6.98037 5.31547 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 9.71837 7.33832 6.61823 6.02121 6.9223 4.3481 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 5.10248 8.04019 7.36779 6.4405 8.48313 14.2036 numMergedOcc 0
6 mol 134 unq 1 iso 0 dist 5.10248 8.04019 7.36779 3.64555 6.99345 10.092 numMergedOcc 0
7 mol 134 unq 2 iso 0 dist 5.10248 8.04019 7.36779 4.78701 5.11043 4.46337 numMergedOcc 0
8 mol 134 unq 3 iso 0 dist 5.10248 11.4517 8.20836 6.4405 8.48313 16.4114 numMergedOcc 0
9 mol 134 unq 4 iso 0 dist 5.10248 11.4517 8.20836 3.64555 6.99345 12.8086 numMergedOcc 0
10 mol 134 unq 5 iso 0 dist 5.10248 11.4517 8.20836 4.78701 5.11043 7.41373 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 8.65878 8.17865 7.88319 13.6732 6.11331 13.7172 numMergedOcc 0
12 mol 170 unq 0 iso 0 dist 5.42919 9.62818 8.15099 5.03025 5.13268 4.78249 numMergedOcc 0
13 mol 171 unq 0 iso 0 dist 5.94881 7.24557 9.11712 4.61696 8.999 4.00127 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 8.26119 5.69334 6.26839 10.739 5.53324 10.0756 numMergedOcc 0
15 mol 194 unq 1 iso 0 dist 8.26119 5.69334 6.26839 14.8319 6.72182 11.8031 numMergedOcc 0
16 mol 194 unq 2 iso 0 dist 8.26119 13.2099 8.12346 10.739 5.53324 10.2793 numMergedOcc 0
17 mol 194 unq 3 iso 0 dist 8.26119 13.2099 8.12346 14.8319 6.72182 9.09233 numMergedOcc 0
18 mol 194 unq 4 iso 0 dist 8.26119 16.2258 8.83356 10.739 5.53324 10.463 numMergedOcc 0
19 mol 194 unq 5 iso 0 dist 8.26119 16.2258 8.83356 14.8319 6.72182 4.66791 numMergedOcc 0
20 mol 194 unq 6 iso 0 dist 8.26119 13.4175 8.2654 10.739 5.53324 12.8494 numMergedOcc 0
21 mol 194 unq 7 iso 0 dist 8.26119 13.4175 8.2654 14.8319 6.72182 7.73551 numMergedOcc 0
22 mol 194 unq 8 iso 0 dist 9.10338 13.5654 6.26839 5.22745 5.53324 10.0756 numMergedOcc 0
23 mol 194 unq 9 iso 0 dist 9.10338 13.5654 6.26839 9.19768 6.72182 11.8031 numMergedOcc 0
24 mol 194 unq 10 iso 0 dist 9.10338 10.2888 8.12346 5.22745 5.53324 10.2793 numMergedOcc 0
25 mol 194 unq 11 iso 0 dist 9.10338 10.2888 8.12346 9.19768 6.72182 9.09233 numMergedOcc 0
26 mol 194 unq 12 iso 0 dist 9.10338 11.1617 8.83356 5.22745 5.53324 10.463 numMergedOcc 0
27 mol 194 unq 13 iso 0 dist 9.10338 11.1617 8.83356 9.19768 6.72182 4.66791 numMergedOcc 0
28 mol 194 unq 14 iso 0 dist 9.10338 13.9257 8.2654 5.22745 5.53324 12.8494 numMergedOcc 0
29 mol 194 unq 15 iso 0 dist 9.10338 13.9257 8.2654 9.19768 6.72182 7.73551 numMergedOcc 0
30 mol 212 unq 0 iso 0 dist 8.18732 4.84098 8.57827 5.93575 5.50658 6.47488 numMergedOcc 0
31 mol 212 unq 1 iso 0 dist 8.18732 6.68718 6.29767 5.93575 5.50658 3.9436 numMergedOcc 0
32 mol 212 unq 2 iso 0 dist 5.90507 5.19318 8.74585 4.71123 9.22129 3.9436 numMergedOcc 0
33 mol 225 unq 0 iso 0 dist 9.74049 12.8002 9.18895 10.3041 9.22269 4.81762 numMergedOcc 0
34 mol 225 unq 1 iso 0 dist 7.55355 5.38295 8.87609 16.5481 9.87668 17.3148 numMergedOcc 0
35 mol 225 unq 2 iso 0 dist 7.55355 5.38295 8.87609 11.4833 8.42121 13.3773 numMergedOcc 0
36 mol 225 unq 3 iso 0 dist 7.55355 5.38295 8.87609 6.98336 7.8744 3.97158 numMergedOcc 0
37 mol 225 unq 4 iso 0 dist 7.55355 5.38295 8.87609 6.45087 4.98402 9.9875 numMergedOcc 0
38 mol 229 unq 0 iso 0 dist 5.67652 12.61 8.92743 7.5737 6.42694 11.0437 numMergedOcc 0
39 mol 229 unq 1 iso 0 dist 5.67652 12.61 8.92743 4.39666 7.63917 11.9989 numMergedOcc 0
40 mol 229 unq 2 iso 0 dist 5.67652 9.93388 8.08082 7.5737 6.42694 5.66641 numMergedOcc 0
41 mol 229 unq 3 iso 0 dist 5.67652 9.93388 8.08082 4.39666 7.63917 7.4175 numMergedOcc 0
42 mol 229 unq 4 iso 0 dist 5.67652 6.23286 5.77318 7.5737 6.42694 7.46815 numMergedOcc 0
43 mol 229 unq 5 iso 0 dist 5.67652 6.23286 5.77318 4.39666 7.63917 5.37687 numMergedOcc 0
44 mol 229 unq 6 iso 0 dist 5.67652 5.132 8.19603 7.5737 6.42694 6.62766 numMergedOcc 0
45 mol 229 unq 7 iso 0 dist 5.67652 5.132 8.19603 4.39666 7.63917 6.03803 numMergedOcc 0
46 mol 230 unq 0 iso 0 dist 7.03084 11.624 6.41286 3.86571 7.07833 9.70574 numMergedOcc 0
47 mol 264 unq 0 iso 0 dist 8.43465 9.51384 7.52281 4.66338 6.02757 5.71153 numMergedOcc 0
48 mol 264 unq 1 iso 0 dist 8.43465 9.51384 7.52281 9.41519 8.67231 6.87635 numMergedOcc 0
49 mol 264 unq 2 iso 0 dist 8.43465 10.2047 6.42588 4.66338 6.02757 6.56539 numMergedOcc 0
50 mol 264 unq 3 iso 0 dist 8.43465 10.2047 6.42588 9.41519 8.67231 4.76241 numMergedOcc 0
51 mol 264 unq 4 iso 0 dist 9.84667 9.54944 6.04162 10.0046 7.14086 11.4167 numMergedOcc 0
52 mol 264 unq 5 iso 0 dist 9.84667 12.533 6.14323 10.0046 7.14086 13.2035 numMergedOcc 0
