REMARK Name = BDB001542 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.574 0.954 -2.711 0.00 0.00 -0.297 N ATOM 2 H LIG 1 -1.451 0.775 -3.703 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -2.956 0.952 -2.387 0.00 0.00 +0.164 A ATOM 4 C LIG 1 -3.835 1.522 -3.291 0.00 0.00 +0.181 A ATOM 5 F LIG 1 -3.418 2.025 -4.462 0.00 0.00 -0.200 F ATOM 6 C LIG 1 -5.159 1.536 -2.945 0.00 0.00 +0.156 A ATOM 7 N LIG 1 -5.622 1.029 -1.787 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 -4.720 0.492 -0.950 0.00 0.00 +0.221 A ATOM 9 N LIG 1 -3.402 0.446 -1.218 0.00 0.00 -0.196 NA BRANCH 8 10 ATOM 10 N LIG 1 -5.084 -0.067 0.270 0.00 0.00 -0.284 N ATOM 11 H LIG 1 -4.258 -0.429 0.724 0.00 0.00 +0.155 HD BRANCH 10 12 ATOM 12 C LIG 1 -6.298 -0.238 0.943 0.00 0.00 +0.034 A ATOM 13 C LIG 1 -7.533 0.203 0.454 0.00 0.00 +0.027 A ATOM 14 C LIG 1 -8.716 0.004 1.177 0.00 0.00 +0.047 A ATOM 15 C LIG 1 -8.670 -0.644 2.404 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -7.462 -1.092 2.917 0.00 0.00 +0.047 A ATOM 17 C LIG 1 -6.286 -0.889 2.189 0.00 0.00 +0.027 A BRANCH 15 18 ATOM 18 O LIG 1 -9.796 -0.859 3.140 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -10.554 -0.492 2.656 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 10 12 ENDBRANCH 8 10 ENDBRANCH 1 3 BRANCH 1 23 ATOM 20 C LIG 1 1.856 -0.119 -0.471 0.00 0.00 +0.037 A ATOM 21 C LIG 1 1.878 -0.136 -1.869 0.00 0.00 +0.015 A ATOM 22 C LIG 1 0.730 0.217 -2.589 0.00 0.00 +0.024 A ATOM 23 C LIG 1 -0.465 0.565 -1.935 0.00 0.00 +0.032 A ATOM 24 C LIG 1 -0.462 0.589 -0.536 0.00 0.00 +0.024 A ATOM 25 C LIG 1 0.680 0.235 0.193 0.00 0.00 +0.015 A BRANCH 20 28 ATOM 26 N LIG 1 4.258 -0.055 -0.183 0.00 0.00 -0.281 N ATOM 27 H LIG 1 4.216 0.557 -0.986 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 3.051 -0.487 0.338 0.00 0.00 +0.248 C ATOM 29 O LIG 1 2.875 -1.095 1.387 0.00 0.00 -0.270 OA BRANCH 26 33 ATOM 30 C LIG 1 8.193 -0.671 1.241 0.00 0.00 +0.120 A ATOM 31 C LIG 1 7.939 0.138 0.136 0.00 0.00 +0.047 A ATOM 32 C LIG 1 6.624 0.324 -0.312 0.00 0.00 +0.027 A ATOM 33 C LIG 1 5.547 -0.291 0.338 0.00 0.00 +0.034 A ATOM 34 C LIG 1 5.807 -1.102 1.441 0.00 0.00 +0.027 A ATOM 35 C LIG 1 7.121 -1.288 1.888 0.00 0.00 +0.047 A BRANCH 30 37 ATOM 36 C LIG 1 10.542 -0.320 1.165 0.00 0.00 +0.277 C ATOM 37 O LIG 1 9.420 -0.938 1.781 0.00 0.00 -0.495 OA ENDBRANCH 30 37 ENDBRANCH 26 33 ENDBRANCH 20 28 ENDBRANCH 1 23 TORSDOF 8