REMARK Name = BDB000063 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.354 -0.364 -2.122 0.00 0.00 +0.044 A ATOM 2 C LIG 1 1.715 -0.421 -1.851 0.00 0.00 +0.071 A ATOM 3 C LIG 1 2.421 -0.324 -0.575 0.00 0.00 +0.256 C ATOM 4 N LIG 1 3.755 -0.447 -0.842 0.00 0.00 -0.222 N ATOM 5 C LIG 1 3.980 -0.603 -2.182 0.00 0.00 +0.255 C ATOM 6 O LIG 1 5.038 -0.700 -2.774 0.00 0.00 -0.270 OA ATOM 7 O LIG 1 1.867 -0.185 0.500 0.00 0.00 -0.269 OA ATOM 8 C LIG 1 2.673 -0.599 -2.834 0.00 0.00 +0.051 A ATOM 9 C LIG 1 2.337 -0.731 -4.165 0.00 0.00 +0.014 A ATOM 10 C LIG 1 0.978 -0.688 -4.480 0.00 0.00 +0.003 A ATOM 11 C LIG 1 0.003 -0.507 -3.472 0.00 0.00 +0.024 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 4.819 -0.422 0.153 0.00 0.00 +0.171 C ATOM 13 C LIG 1 4.580 -1.534 1.172 0.00 0.00 +0.240 C ATOM 14 O LIG 1 4.493 -2.719 0.850 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 4.388 -1.150 2.476 0.00 0.00 -0.255 N ATOM 16 H LIG 1 4.185 -1.904 3.120 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 4.051 0.097 2.935 0.00 0.00 +0.219 C ATOM 18 O LIG 1 3.637 0.255 4.081 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 4.158 1.246 1.962 0.00 0.00 +0.098 C ATOM 20 C LIG 1 5.078 0.939 0.794 0.00 0.00 +0.041 C ENDBRANCH 4 12 BRANCH 1 21 ATOM 21 N LIG 1 -0.567 -0.155 -1.087 0.00 0.00 -0.313 N ATOM 22 H LIG 1 -0.169 -0.331 -0.160 0.00 0.00 +0.152 HD BRANCH 21 24 ATOM 23 C LIG 1 -2.716 0.072 0.066 0.00 0.00 +0.005 A ATOM 24 C LIG 1 -1.867 0.400 -1.027 0.00 0.00 +0.040 A ATOM 25 C LIG 1 -2.357 1.229 -2.053 0.00 0.00 +0.035 A ATOM 26 C LIG 1 -3.670 1.730 -1.994 0.00 0.00 +0.021 A ATOM 27 C LIG 1 -4.473 2.567 -2.798 0.00 0.00 +0.143 A ATOM 28 N LIG 1 -5.694 2.752 -2.292 0.00 0.00 -0.179 NA ATOM 29 N LIG 1 -5.676 2.030 -1.154 0.00 0.00 -0.267 N ATOM 30 C LIG 1 -6.849 1.996 -0.313 0.00 0.00 +0.173 C ATOM 31 C LIG 1 -4.481 1.394 -0.918 0.00 0.00 +0.069 A ATOM 32 C LIG 1 -4.035 0.572 0.124 0.00 0.00 +0.038 A BRANCH 23 38 ATOM 33 C LIG 1 -0.066 -0.648 4.250 0.00 0.00 +0.065 C ATOM 34 C LIG 1 -0.987 -1.156 3.182 0.00 0.00 +0.039 A ATOM 35 N LIG 1 -1.360 -2.455 3.244 0.00 0.00 -0.260 NA ATOM 36 C LIG 1 -2.173 -2.915 2.270 0.00 0.00 +0.111 A ATOM 37 C LIG 1 -2.643 -2.138 1.226 0.00 0.00 +0.028 A ATOM 38 C LIG 1 -2.260 -0.796 1.167 0.00 0.00 -0.013 A ATOM 39 C LIG 1 -1.422 -0.301 2.173 0.00 0.00 +0.031 A ENDBRANCH 23 38 ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 4