REMARK Name = BDB001930 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.433 0.420 0.803 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -0.653 -0.023 1.606 0.00 0.00 +0.042 A ATOM 3 CA LIG 1 -1.750 -0.259 0.790 0.00 0.00 +0.102 A ATOM 4 N LIG 1 -1.328 -0.016 -0.499 0.00 0.00 -0.356 N ATOM 5 H LIG 1 -1.884 -0.166 -1.330 0.00 0.00 +0.165 HD ATOM 6 C LIG 1 -0.023 0.398 -0.501 0.00 0.00 +0.093 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 1.133 2.098 3.248 0.00 0.00 +0.047 C ATOM 8 C LIG 1 2.117 1.537 2.276 0.00 0.00 -0.006 A ATOM 9 C LIG 1 1.802 0.784 1.160 0.00 0.00 +0.080 A ATOM 10 N LIG 1 2.736 0.322 0.296 0.00 0.00 -0.214 NA ATOM 11 C LIG 1 4.022 0.580 0.559 0.00 0.00 +0.220 A ATOM 12 N LIG 1 4.422 1.280 1.626 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 3.468 1.739 2.456 0.00 0.00 +0.120 A BRANCH 11 14 ATOM 14 N LIG 1 4.921 0.083 -0.384 0.00 0.00 -0.283 N ATOM 15 H LIG 1 4.381 -0.430 -1.073 0.00 0.00 +0.155 HD BRANCH 14 16 ATOM 16 C LIG 1 6.318 -0.037 -0.435 0.00 0.00 +0.045 A ATOM 17 C LIG 1 6.961 -0.438 -1.629 0.00 0.00 +0.076 A ATOM 18 C LIG 1 8.371 -0.503 -1.688 0.00 0.00 +0.014 A ATOM 19 C LIG 1 9.150 -0.177 -0.582 0.00 0.00 +0.001 A ATOM 20 C LIG 1 8.530 0.229 0.590 0.00 0.00 +0.002 A ATOM 21 C LIG 1 7.135 0.306 0.656 0.00 0.00 +0.024 A BRANCH 17 22 ATOM 22 C LIG 1 6.192 -0.758 -2.887 0.00 0.00 +0.419 C ATOM 23 F LIG 1 4.927 -1.218 -2.657 0.00 0.00 -0.166 F ATOM 24 F LIG 1 6.790 -1.720 -3.649 0.00 0.00 -0.166 F ATOM 25 F LIG 1 6.050 0.322 -3.704 0.00 0.00 -0.166 F ENDBRANCH 17 22 ENDBRANCH 14 16 ENDBRANCH 11 14 ENDBRANCH 1 9 BRANCH 3 26 ATOM 26 C LIG 1 -3.063 -0.722 1.191 0.00 0.00 +0.261 C ATOM 27 N LIG 1 -4.042 -0.579 0.231 0.00 0.00 -0.301 N ATOM 28 H LIG 1 -3.886 0.138 -0.462 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 -3.294 -1.184 2.303 0.00 0.00 -0.269 OA BRANCH 27 30 ATOM 30 CA LIG 1 -5.445 -0.846 0.541 0.00 0.00 +0.129 C BRANCH 30 31 ATOM 31 C LIG 1 -6.304 -0.297 -0.593 0.00 0.00 -0.025 A ATOM 32 C LIG 1 -6.160 -0.763 -1.912 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -6.939 -0.234 -2.943 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.868 0.768 -2.671 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -8.022 1.240 -1.369 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -7.245 0.711 -0.336 0.00 0.00 +0.005 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -5.740 -2.343 0.806 0.00 0.00 +0.182 C BRANCH 37 38 ATOM 38 O LIG 1 -7.054 -2.519 1.338 0.00 0.00 -0.393 OA ATOM 39 H LIG 1 -7.149 -3.464 1.545 0.00 0.00 +0.209 HD ENDBRANCH 37 38 ENDBRANCH 30 37 ENDBRANCH 27 30 ENDBRANCH 3 26 TORSDOF 9