REMARK Name = BDB001946 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.135 1.277 0.369 0.00 0.00 +0.019 A ATOM 2 C LIG 1 1.481 0.848 0.181 0.00 0.00 +0.042 A ATOM 3 CA LIG 1 2.106 1.729 -0.689 0.00 0.00 +0.102 A ATOM 4 N LIG 1 1.160 2.674 -1.030 0.00 0.00 -0.356 N ATOM 5 H LIG 1 1.339 3.443 -1.665 0.00 0.00 +0.165 HD ATOM 6 C LIG 1 -0.029 2.402 -0.413 0.00 0.00 +0.093 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 0.477 0.475 3.272 0.00 0.00 +0.047 C ATOM 8 C LIG 1 -0.779 0.321 2.483 0.00 0.00 -0.006 A ATOM 9 C LIG 1 -0.942 0.696 1.162 0.00 0.00 +0.080 A ATOM 10 N LIG 1 -2.107 0.557 0.490 0.00 0.00 -0.214 NA ATOM 11 C LIG 1 -3.143 0.006 1.135 0.00 0.00 +0.220 A ATOM 12 N LIG 1 -3.072 -0.409 2.406 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 -1.901 -0.244 3.048 0.00 0.00 +0.120 A BRANCH 11 14 ATOM 14 N LIG 1 -4.306 -0.113 0.388 0.00 0.00 -0.281 N ATOM 15 H LIG 1 -4.166 0.251 -0.546 0.00 0.00 +0.155 HD BRANCH 14 16 ATOM 16 C LIG 1 -5.598 -0.599 0.636 0.00 0.00 +0.079 A ATOM 17 C LIG 1 -6.542 -0.564 -0.411 0.00 0.00 +0.183 A ATOM 18 O LIG 1 -6.109 -0.052 -1.619 0.00 0.00 -0.483 OA ATOM 19 C LIG 1 -7.005 -0.389 -2.682 0.00 0.00 +0.270 C ATOM 20 C LIG 1 -8.441 -0.121 -2.272 0.00 0.00 +0.270 C ATOM 21 O LIG 1 -8.822 -0.977 -1.190 0.00 0.00 -0.485 OA ATOM 22 C LIG 1 -7.854 -1.019 -0.219 0.00 0.00 +0.164 A ATOM 23 C LIG 1 -8.231 -1.557 1.007 0.00 0.00 +0.049 A ATOM 24 C LIG 1 -7.308 -1.613 2.048 0.00 0.00 +0.006 A ATOM 25 C LIG 1 -6.006 -1.133 1.864 0.00 0.00 +0.027 A ENDBRANCH 14 16 ENDBRANCH 11 14 ENDBRANCH 1 9 BRANCH 3 26 ATOM 26 C LIG 1 3.447 1.786 -1.228 0.00 0.00 +0.261 C ATOM 27 N LIG 1 4.274 0.754 -0.863 0.00 0.00 -0.301 N ATOM 28 H LIG 1 3.914 0.005 -0.292 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 3.819 2.692 -1.968 0.00 0.00 -0.269 OA BRANCH 27 30 ATOM 30 CA LIG 1 5.644 0.665 -1.343 0.00 0.00 +0.129 C BRANCH 30 31 ATOM 31 C LIG 1 6.439 -0.242 -0.415 0.00 0.00 -0.024 A ATOM 32 C LIG 1 6.232 -1.632 -0.383 0.00 0.00 +0.025 A ATOM 33 C LIG 1 6.958 -2.434 0.500 0.00 0.00 +0.041 A ATOM 34 CL LIG 1 6.686 -4.133 0.526 0.00 0.00 -0.084 Cl ATOM 35 C LIG 1 7.891 -1.870 1.365 0.00 0.00 +0.020 A ATOM 36 C LIG 1 8.100 -0.492 1.351 0.00 0.00 +0.002 A ATOM 37 C LIG 1 7.376 0.316 0.471 0.00 0.00 +0.005 A ENDBRANCH 30 31 BRANCH 30 38 ATOM 38 C LIG 1 5.715 0.238 -2.831 0.00 0.00 +0.182 C BRANCH 38 39 ATOM 39 O LIG 1 7.022 0.428 -3.374 0.00 0.00 -0.393 OA ATOM 40 H LIG 1 7.178 1.388 -3.418 0.00 0.00 +0.209 HD ENDBRANCH 38 39 ENDBRANCH 30 38 ENDBRANCH 27 30 ENDBRANCH 3 26 TORSDOF 8