REMARK Name = BDB037490 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.310 -2.133 0.827 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.633 -1.102 0.971 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -0.386 0.224 0.656 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -1.581 0.943 0.931 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.504 0.103 1.421 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.928 0.702 0.142 0.00 0.00 +0.084 C ATOM 7 C LIG 1 2.028 -0.287 0.565 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.951 -1.130 1.378 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.603 -1.764 0.392 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.413 -2.591 -0.047 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.808 2.397 0.754 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.106 2.891 0.687 0.00 0.00 -0.280 N ATOM 13 C LIG 1 -4.372 2.159 0.825 0.00 0.00 +0.179 C ATOM 14 C LIG 1 -5.416 3.277 0.971 0.00 0.00 +0.039 C ATOM 15 C LIG 1 -4.815 4.433 0.182 0.00 0.00 +0.022 C ATOM 16 C LIG 1 -3.332 4.311 0.489 0.00 0.00 +0.109 C ATOM 17 O LIG 1 -0.854 3.170 0.652 0.00 0.00 -0.268 OA BRANCH 13 18 ATOM 18 C LIG 1 -4.675 1.315 -0.353 0.00 0.00 +0.085 C ATOM 19 N LIG 1 -4.935 0.658 -1.275 0.00 0.00 -0.195 NA ENDBRANCH 13 18 ENDBRANCH 4 11 BRANCH 6 20 ATOM 20 C LIG 1 0.762 0.903 -1.363 0.00 0.00 -0.037 A ATOM 21 C LIG 1 0.425 -0.131 -2.256 0.00 0.00 +0.007 A ATOM 22 C LIG 1 0.313 0.117 -3.627 0.00 0.00 +0.038 A ATOM 23 C LIG 1 0.541 1.396 -4.117 0.00 0.00 +0.123 A ATOM 24 F LIG 1 0.436 1.629 -5.432 0.00 0.00 -0.205 F ATOM 25 C LIG 1 0.878 2.435 -3.262 0.00 0.00 +0.038 A ATOM 26 C LIG 1 0.989 2.189 -1.893 0.00 0.00 +0.007 A ENDBRANCH 6 20 BRANCH 8 27 ATOM 27 C LIG 1 -2.784 -2.239 1.832 0.00 0.00 +0.114 C ATOM 28 C LIG 1 -4.276 -2.081 1.487 0.00 0.00 +0.055 C ATOM 29 C LIG 1 -5.059 -3.266 2.030 0.00 0.00 +0.162 C ATOM 30 O LIG 1 -4.863 -3.389 3.437 0.00 0.00 -0.380 OA ATOM 31 C LIG 1 -3.501 -3.627 3.785 0.00 0.00 +0.162 C ATOM 32 C LIG 1 -2.619 -2.473 3.337 0.00 0.00 +0.055 C ENDBRANCH 8 27 BRANCH 7 33 ATOM 33 N LIG 1 3.312 -0.079 -0.109 0.00 0.00 -0.299 N ATOM 34 H LIG 1 3.554 -0.753 -0.826 0.00 0.00 +0.150 HD ATOM 35 C LIG 1 4.080 1.036 0.116 0.00 0.00 +0.245 C ATOM 36 O LIG 1 3.749 1.924 0.893 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 5.345 1.145 -0.661 0.00 0.00 +0.037 A ATOM 38 C LIG 1 6.044 0.018 -1.115 0.00 0.00 +0.025 A ATOM 39 C LIG 1 7.238 0.166 -1.845 0.00 0.00 +0.056 A ATOM 40 C LIG 1 7.725 1.456 -2.102 0.00 0.00 +0.012 A ATOM 41 C LIG 1 7.038 2.579 -1.638 0.00 0.00 +0.001 A ATOM 42 C LIG 1 5.854 2.424 -0.917 0.00 0.00 +0.013 A BRANCH 39 43 ATOM 43 C LIG 1 7.987 -1.057 -2.317 0.00 0.00 +0.417 C ATOM 44 F LIG 1 8.540 -1.754 -1.288 0.00 0.00 -0.166 F ATOM 45 F LIG 1 7.182 -1.938 -2.975 0.00 0.00 -0.166 F ATOM 46 F LIG 1 9.008 -0.775 -3.172 0.00 0.00 -0.166 F ENDBRANCH 39 43 ENDBRANCH 35 37 ENDBRANCH 7 33 BRANCH 1 48 ATOM 47 C LIG 1 -0.510 -4.091 -0.448 0.00 0.00 +0.025 C ATOM 48 C LIG 1 0.046 -3.567 0.869 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 8