REMARK Name = BDB027379 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.821 -0.087 0.335 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.199 0.416 -0.491 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.135 1.785 -0.760 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -0.811 2.642 -0.294 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -1.778 2.143 0.505 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -1.810 0.789 0.829 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.784 3.117 0.980 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.472 2.953 2.197 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -4.415 3.891 2.617 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -5.049 3.702 3.783 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -4.694 5.009 1.845 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -5.601 5.906 2.255 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -4.031 5.207 0.643 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.084 4.269 0.219 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 1.187 -0.430 -0.997 0.00 0.00 -0.326 N ATOM 16 C LIG 1 2.304 -0.741 -0.069 0.00 0.00 +0.133 C ATOM 17 C LIG 1 3.589 0.121 -0.302 0.00 0.00 +0.078 C ATOM 18 C LIG 1 3.963 0.082 -1.801 0.00 0.00 +0.031 C ATOM 19 C LIG 1 2.792 0.498 -2.694 0.00 0.00 +0.021 C ATOM 20 C LIG 1 1.539 -0.332 -2.422 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 C LIG 1 4.742 -0.403 0.573 0.00 0.00 +0.098 A ATOM 22 C LIG 1 5.237 -1.701 0.443 0.00 0.00 +0.146 A ATOM 23 F LIG 1 4.722 -2.558 -0.448 0.00 0.00 -0.204 F ATOM 24 C LIG 1 6.283 -2.126 1.254 0.00 0.00 +0.042 A ATOM 25 C LIG 1 6.822 -1.246 2.184 0.00 0.00 +0.022 A ATOM 26 C LIG 1 6.287 0.028 2.265 0.00 0.00 +0.111 A ATOM 27 N LIG 1 5.268 0.466 1.489 0.00 0.00 -0.255 NA ENDBRANCH 17 21 BRANCH 17 28 ATOM 28 N LIG 1 3.316 1.555 0.028 0.00 0.00 -0.319 NA ATOM 29 H LIG 1 2.981 1.587 0.993 0.00 0.00 +0.119 HD ATOM 30 H LIG 1 4.229 2.016 0.090 0.00 0.00 +0.119 HD ENDBRANCH 17 28 ENDBRANCH 2 15 BRANCH 1 31 ATOM 31 C LIG 1 -0.953 -1.559 0.645 0.00 0.00 +0.161 C BRANCH 31 36 ATOM 32 C LIG 1 -4.937 -3.519 -1.286 0.00 0.00 +0.147 A ATOM 33 C LIG 1 -3.585 -3.142 -1.226 0.00 0.00 +0.147 A ATOM 34 N LIG 1 -2.529 -3.312 -2.101 0.00 0.00 -0.231 NA ATOM 35 C LIG 1 -1.504 -2.745 -1.500 0.00 0.00 +0.202 A ATOM 36 N LIG 1 -1.850 -2.214 -0.286 0.00 0.00 -0.310 N ATOM 37 C LIG 1 -3.181 -2.457 -0.091 0.00 0.00 +0.166 A ATOM 38 N LIG 1 -3.939 -2.110 0.964 0.00 0.00 -0.216 NA ATOM 39 C LIG 1 -5.215 -2.513 0.787 0.00 0.00 +0.225 A ATOM 40 N LIG 1 -5.750 -3.177 -0.261 0.00 0.00 -0.219 NA BRANCH 32 41 ATOM 41 N LIG 1 -5.487 -4.209 -2.360 0.00 0.00 -0.341 N ATOM 42 H LIG 1 -4.940 -4.124 -3.209 0.00 0.00 +0.144 HD ATOM 43 H LIG 1 -6.486 -4.066 -2.427 0.00 0.00 +0.144 HD ENDBRANCH 32 41 ENDBRANCH 31 36 ENDBRANCH 1 31 TORSDOF 7