REMARK Name = BDB010099 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.540 -0.455 -0.936 0.00 0.00 +0.151 A ATOM 2 C LIG 1 0.344 -1.166 -0.938 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.135 -2.162 -1.874 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.064 -2.780 -1.686 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 -1.616 -2.202 -0.634 0.00 0.00 +0.144 A ATOM 6 N LIG 1 1.017 -2.501 -2.824 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 2.150 -1.790 -2.752 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.794 -1.188 -0.160 0.00 0.00 -0.315 N ATOM 9 N LIG 1 2.450 -0.813 -1.863 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.870 -2.653 -0.025 0.00 0.00 +0.018 A ATOM 11 C LIG 1 -3.956 -1.791 0.177 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -5.138 -2.247 0.781 0.00 0.00 -0.050 A ATOM 13 C LIG 1 -6.303 -1.318 0.962 0.00 0.00 +0.044 C ATOM 14 C LIG 1 -5.241 -3.593 1.148 0.00 0.00 +0.003 A ATOM 15 C LIG 1 -4.176 -4.466 0.929 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -2.999 -3.998 0.343 0.00 0.00 +0.011 A ENDBRANCH 5 10 BRANCH 7 17 ATOM 17 C LIG 1 3.201 -2.129 -3.777 0.00 0.00 +0.375 C ATOM 18 O LIG 1 3.126 -2.967 -4.660 0.00 0.00 -0.242 OA BRANCH 17 19 ATOM 19 O LIG 1 4.330 -1.390 -3.654 0.00 0.00 -0.475 OA ATOM 20 H LIG 1 4.902 -1.722 -4.376 0.00 0.00 +0.296 HD ENDBRANCH 17 19 ENDBRANCH 7 17 BRANCH 1 21 ATOM 21 N LIG 1 1.827 0.545 0.002 0.00 0.00 -0.313 N BRANCH 21 22 ATOM 22 C LIG 1 3.147 0.383 0.637 0.00 0.00 +0.106 C BRANCH 22 23 ATOM 23 C LIG 1 3.175 -0.845 1.557 0.00 0.00 +0.019 C BRANCH 23 25 ATOM 24 C LIG 1 5.703 -1.180 1.542 0.00 0.00 +0.004 C ATOM 25 C LIG 1 4.458 -0.948 2.385 0.00 0.00 -0.002 C ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 21 22 BRANCH 21 26 ATOM 26 C LIG 1 1.539 1.892 -0.542 0.00 0.00 +0.106 C BRANCH 26 27 ATOM 27 C LIG 1 2.560 2.458 -1.540 0.00 0.00 +0.016 C ATOM 28 C LIG 1 3.649 3.304 -0.892 0.00 0.00 +0.005 C ENDBRANCH 26 27 ENDBRANCH 21 26 ENDBRANCH 1 21 BRANCH 8 29 ATOM 29 C LIG 1 -1.010 -0.411 1.054 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 C LIG 1 -1.574 0.979 0.835 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -2.141 1.416 -0.372 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -2.661 2.709 -0.493 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -2.626 3.599 0.588 0.00 0.00 +0.055 A ATOM 34 C LIG 1 -2.075 3.163 1.800 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -1.557 1.871 1.920 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 -3.207 4.986 0.461 0.00 0.00 +0.417 C ATOM 37 F LIG 1 -4.535 5.020 0.758 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -3.089 5.500 -0.795 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -2.614 5.892 1.288 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 12