REMARK Name = BDB008636 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.400 0.826 -0.668 0.00 0.00 -0.263 N ATOM 2 C LIG 1 2.174 0.367 -0.249 0.00 0.00 +0.070 A ATOM 3 C LIG 1 1.940 -0.791 -0.988 0.00 0.00 +0.031 A ATOM 4 C LIG 1 0.740 -1.494 -0.759 0.00 0.00 -0.002 A ATOM 5 C LIG 1 -0.179 -1.012 0.188 0.00 0.00 +0.015 A ATOM 6 C LIG 1 0.053 0.170 0.910 0.00 0.00 -0.025 A ATOM 7 C LIG 1 3.087 -0.918 -1.826 0.00 0.00 +0.068 A ATOM 8 C LIG 1 3.384 -1.959 -2.842 0.00 0.00 +0.068 C ATOM 9 C LIG 1 1.262 0.861 0.703 0.00 0.00 +0.033 A ATOM 10 N LIG 1 3.972 0.063 -1.616 0.00 0.00 -0.175 NA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 0.462 -2.704 -1.487 0.00 0.00 +0.047 A ATOM 12 C LIG 1 -0.335 -2.775 -2.607 0.00 0.00 +0.142 A ATOM 13 C LIG 1 -1.098 -1.791 -3.396 0.00 0.00 +0.090 C ATOM 14 O LIG 1 -0.392 -4.067 -3.029 0.00 0.00 -0.359 OA ATOM 15 N LIG 1 0.358 -4.866 -2.184 0.00 0.00 -0.083 NA ATOM 16 C LIG 1 0.859 -4.044 -1.253 0.00 0.00 +0.089 A ATOM 17 C LIG 1 1.700 -4.577 -0.158 0.00 0.00 +0.070 C ENDBRANCH 4 11 BRANCH 6 18 ATOM 18 C LIG 1 -0.997 0.637 1.923 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -0.684 1.937 2.682 0.00 0.00 +0.033 C BRANCH 18 20 ATOM 20 N LIG 1 -2.368 0.682 1.352 0.00 0.00 -0.289 N ATOM 21 C LIG 1 -3.271 -0.305 1.770 0.00 0.00 +0.246 C ATOM 22 O LIG 1 -2.907 -1.264 2.465 0.00 0.00 -0.273 OA BRANCH 21 23 ATOM 23 C LIG 1 -4.781 -0.172 1.456 0.00 0.00 +0.217 C ATOM 24 O LIG 1 -5.128 0.214 0.128 0.00 0.00 -0.365 OA ATOM 25 C LIG 1 -6.548 0.286 -0.041 0.00 0.00 +0.176 C ATOM 26 C LIG 1 -7.178 1.267 0.957 0.00 0.00 +0.109 C ATOM 27 N LIG 1 -6.883 0.904 2.354 0.00 0.00 -0.311 NA ATOM 28 H LIG 1 -7.314 -0.000 2.554 0.00 0.00 +0.122 HD ATOM 29 C LIG 1 -5.418 0.766 2.506 0.00 0.00 +0.122 C ENDBRANCH 21 23 BRANCH 20 30 ATOM 30 C LIG 1 -2.748 1.808 0.520 0.00 0.00 +0.077 C ATOM 31 C LIG 1 -2.942 1.636 -0.968 0.00 0.00 +0.024 C ATOM 32 C LIG 1 -1.839 2.505 -0.466 0.00 0.00 +0.024 C ENDBRANCH 20 30 ENDBRANCH 18 20 ENDBRANCH 6 18 BRANCH 1 33 ATOM 33 C LIG 1 4.097 2.010 -0.194 0.00 0.00 +0.146 C BRANCH 33 34 ATOM 34 C LIG 1 4.929 1.741 1.061 0.00 0.00 +0.051 C BRANCH 34 35 ATOM 35 C LIG 1 6.231 1.010 0.754 0.00 0.00 +0.161 C BRANCH 35 37 ATOM 36 C LIG 1 8.253 1.218 -0.437 0.00 0.00 +0.193 C ATOM 37 O LIG 1 7.067 1.877 -0.011 0.00 0.00 -0.383 OA ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 9