REMARK Name = BDB001931 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.707 -0.460 0.297 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -0.675 -0.145 0.159 0.00 0.00 +0.042 A ATOM 3 CA LIG 1 -1.389 -1.331 0.065 0.00 0.00 +0.102 A ATOM 4 N LIG 1 -0.463 -2.349 0.147 0.00 0.00 -0.356 N ATOM 5 H LIG 1 -0.709 -3.331 0.106 0.00 0.00 +0.165 HD ATOM 6 C LIG 1 0.800 -1.837 0.266 0.00 0.00 +0.093 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 0.848 1.815 2.290 0.00 0.00 +0.047 C ATOM 8 C LIG 1 1.925 1.458 1.322 0.00 0.00 -0.006 A ATOM 9 C LIG 1 1.868 0.412 0.418 0.00 0.00 +0.080 A ATOM 10 N LIG 1 2.877 0.110 -0.431 0.00 0.00 -0.214 NA ATOM 11 C LIG 1 3.971 0.878 -0.398 0.00 0.00 +0.220 A ATOM 12 N LIG 1 4.106 1.930 0.418 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 3.088 2.194 1.257 0.00 0.00 +0.120 A BRANCH 11 14 ATOM 14 N LIG 1 4.958 0.538 -1.322 0.00 0.00 -0.281 N ATOM 15 H LIG 1 4.693 -0.352 -1.728 0.00 0.00 +0.155 HD BRANCH 14 16 ATOM 16 C LIG 1 6.345 0.767 -1.324 0.00 0.00 +0.076 A ATOM 17 C LIG 1 7.075 0.469 -2.489 0.00 0.00 +0.138 A ATOM 18 C LIG 1 8.455 0.635 -2.565 0.00 0.00 +0.047 A ATOM 19 C LIG 1 9.139 1.154 -1.470 0.00 0.00 +0.004 A ATOM 20 C LIG 1 8.436 1.506 -0.319 0.00 0.00 +0.002 A ATOM 21 C LIG 1 7.049 1.321 -0.251 0.00 0.00 +0.027 A BRANCH 17 22 ATOM 22 O LIG 1 6.428 0.031 -3.615 0.00 0.00 -0.505 OA ATOM 23 H LIG 1 5.520 0.377 -3.543 0.00 0.00 +0.292 HD ENDBRANCH 17 22 ENDBRANCH 14 16 ENDBRANCH 11 14 ENDBRANCH 1 9 BRANCH 3 24 ATOM 24 C LIG 1 -2.801 -1.611 -0.082 0.00 0.00 +0.261 C ATOM 25 N LIG 1 -3.591 -0.502 -0.280 0.00 0.00 -0.301 N ATOM 26 H LIG 1 -3.126 0.294 -0.696 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 -3.238 -2.757 -0.059 0.00 0.00 -0.269 OA BRANCH 25 28 ATOM 28 CA LIG 1 -4.995 -0.638 -0.656 0.00 0.00 +0.129 C BRANCH 28 29 ATOM 29 C LIG 1 -5.863 -1.095 0.503 0.00 0.00 -0.025 A ATOM 30 C LIG 1 -5.800 -0.467 1.758 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.626 -0.882 2.804 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -7.525 -1.928 2.610 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.597 -2.563 1.372 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.772 -2.150 0.325 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -5.526 0.704 -1.207 0.00 0.00 +0.182 C BRANCH 35 36 ATOM 36 O LIG 1 -4.665 1.182 -2.247 0.00 0.00 -0.393 OA ATOM 37 H LIG 1 -5.102 1.961 -2.635 0.00 0.00 +0.209 HD ENDBRANCH 35 36 ENDBRANCH 28 35 ENDBRANCH 25 28 ENDBRANCH 3 24 TORSDOF 9