REMARK Name = BDB062032 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.510 -0.825 -0.789 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -2.997 -2.000 -0.181 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -1.669 -2.084 0.280 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -0.866 -0.959 0.118 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.559 -0.739 0.509 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.824 0.630 0.087 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.303 1.201 -0.515 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.480 2.299 -1.010 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.366 0.189 -0.481 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.667 0.287 -0.941 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.081 1.261 0.300 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.149 0.554 0.885 0.00 0.00 +0.028 A ATOM 13 C LIG 1 4.423 1.125 1.127 0.00 0.00 -0.032 A ATOM 14 C LIG 1 4.585 2.468 0.745 0.00 0.00 +0.004 A ATOM 15 C LIG 1 3.547 3.192 0.164 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.307 2.592 -0.055 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.625 0.274 1.770 0.00 0.00 +0.080 C ATOM 18 C LIG 1 6.545 0.962 2.812 0.00 0.00 +0.177 C ATOM 19 O LIG 1 6.444 -0.184 3.698 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 5.277 -0.639 2.973 0.00 0.00 +0.177 C BRANCH 17 21 ATOM 21 C LIG 1 6.406 -0.511 0.706 0.00 0.00 +0.248 C ATOM 22 F LIG 1 5.545 -1.416 0.144 0.00 0.00 -0.236 F BRANCH 21 23 ATOM 23 C LIG 1 7.018 0.374 -0.329 0.00 0.00 +0.168 A ATOM 24 N LIG 1 6.629 0.471 -1.641 0.00 0.00 -0.318 N ATOM 25 C LIG 1 5.582 -0.250 -2.315 0.00 0.00 +0.151 C ATOM 26 C LIG 1 7.430 1.416 -2.205 0.00 0.00 +0.224 A ATOM 27 N LIG 1 8.265 1.877 -1.305 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 8.010 1.221 -0.127 0.00 0.00 -0.132 NA ENDBRANCH 21 23 ENDBRANCH 17 21 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 -1.136 -3.329 0.935 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -0.021 -3.798 0.307 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.765 -3.114 2.227 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.017 -4.364 0.958 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 34 ATOM 33 C LIG 1 -5.164 -1.659 -2.485 0.00 0.00 +0.029 C ATOM 34 C LIG 1 -4.954 -0.747 -1.271 0.00 0.00 +0.081 C BRANCH 34 35 ATOM 35 N LIG 1 -5.869 -1.114 -0.179 0.00 0.00 -0.304 NA ATOM 36 H LIG 1 -6.248 -2.047 -0.334 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -6.888 -0.092 0.096 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -6.228 1.153 0.755 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -7.327 1.086 1.835 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -7.475 -0.414 1.502 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -7.910 0.101 -1.009 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 1 34 TORSDOF 8