REMARK Name = BDB010418 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.376 -0.496 0.114 0.00 0.00 +0.149 A ATOM 2 C LIG 1 1.139 -0.152 0.654 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.884 -0.372 2.001 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -0.341 0.096 2.368 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -0.854 0.619 1.282 0.00 0.00 +0.201 A ATOM 6 N LIG 1 1.745 -0.951 2.853 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.891 -1.290 2.246 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.051 0.357 0.183 0.00 0.00 -0.307 N ATOM 9 N LIG 1 3.237 -1.092 0.960 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 3.892 -1.950 3.112 0.00 0.00 +0.220 A ATOM 11 N LIG 1 3.584 -2.203 4.393 0.00 0.00 -0.269 N ATOM 12 H LIG 1 2.723 -1.985 4.867 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 4.656 -2.790 4.939 0.00 0.00 +0.440 A ATOM 14 O LIG 1 4.759 -3.157 6.094 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 5.628 -2.909 3.979 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 5.083 -2.337 2.786 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 -2.026 1.311 1.172 0.00 0.00 -0.289 N ATOM 18 C LIG 1 -3.034 1.037 2.247 0.00 0.00 +0.132 C ATOM 19 C LIG 1 -2.714 1.875 3.520 0.00 0.00 +0.187 C ATOM 20 O LIG 1 -2.585 3.283 3.245 0.00 0.00 -0.376 OA ATOM 21 C LIG 1 -1.560 3.508 2.267 0.00 0.00 +0.179 C ATOM 22 C LIG 1 -1.869 2.776 0.952 0.00 0.00 +0.136 C BRANCH 18 23 ATOM 23 C LIG 1 -4.436 1.223 1.659 0.00 0.00 -0.022 A ATOM 24 C LIG 1 -4.831 0.422 0.573 0.00 0.00 +0.025 A ATOM 25 C LIG 1 -6.098 0.578 0.032 0.00 0.00 +0.111 A ATOM 26 N LIG 1 -6.998 1.469 0.492 0.00 0.00 -0.263 NA ATOM 27 C LIG 1 -6.610 2.235 1.543 0.00 0.00 +0.111 A ATOM 28 C LIG 1 -5.364 2.150 2.147 0.00 0.00 +0.025 A ENDBRANCH 18 23 ENDBRANCH 5 17 BRANCH 1 29 ATOM 29 N LIG 1 2.727 -0.239 -1.199 0.00 0.00 -0.324 N ATOM 30 H LIG 1 2.230 0.543 -1.602 0.00 0.00 +0.148 HD BRANCH 29 32 ATOM 31 C LIG 1 4.746 -1.720 -1.436 0.00 0.00 +0.028 C ATOM 32 C LIG 1 4.094 -0.368 -1.720 0.00 0.00 +0.072 C BRANCH 32 33 ATOM 33 C LIG 1 5.042 0.786 -1.368 0.00 0.00 +0.009 C ATOM 34 C LIG 1 5.273 1.299 0.085 0.00 0.00 +0.005 C ATOM 35 C LIG 1 5.472 2.703 -0.526 0.00 0.00 +0.001 C ATOM 36 C LIG 1 4.581 2.237 -1.698 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 1 29 BRANCH 8 37 ATOM 37 C LIG 1 -0.476 0.444 -1.204 0.00 0.00 +0.128 C BRANCH 37 38 ATOM 38 C LIG 1 -0.614 -0.921 -1.921 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -1.120 -0.727 -3.366 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -2.638 -0.859 -3.471 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -3.139 -2.242 -3.010 0.00 0.00 -0.014 C ATOM 42 C LIG 1 -3.428 -3.159 -4.199 0.00 0.00 +0.007 C ATOM 43 C LIG 1 -2.169 -2.927 -2.033 0.00 0.00 +0.003 C ATOM 44 C LIG 1 -1.498 -1.904 -1.125 0.00 0.00 +0.005 C ENDBRANCH 37 38 ENDBRANCH 8 37 TORSDOF 8