REMARK Name = BDB037388 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.899 -2.049 0.768 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.767 -0.948 0.661 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.361 0.372 0.698 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -2.539 1.124 0.903 0.00 0.00 +0.083 A ATOM 5 N LIG 1 -3.617 0.329 0.929 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 0.065 0.775 0.673 0.00 0.00 +0.083 C ATOM 7 C LIG 1 0.899 -0.328 1.345 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -3.155 -0.885 0.516 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.466 -1.776 0.991 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.322 -2.671 1.011 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.376 1.097 -0.785 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.517 2.449 -1.160 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.808 2.804 -2.479 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.961 1.812 -3.435 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.239 2.150 -4.701 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.830 0.472 -3.098 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.539 0.114 -1.779 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -4.072 -1.781 -0.090 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -5.413 -1.777 0.319 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -6.331 -2.636 -0.289 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.921 -3.478 -1.322 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.598 -3.450 -1.762 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.676 -2.595 -1.155 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.345 -0.203 1.134 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.831 -1.074 0.940 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.051 0.870 1.623 0.00 0.00 +0.245 C ATOM 27 O LIG 1 2.520 1.811 2.202 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.528 0.827 1.443 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.125 0.133 0.381 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.523 0.116 0.237 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.311 0.822 1.160 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.718 1.526 2.209 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.330 1.532 2.348 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.165 -0.610 -0.920 0.00 0.00 +0.417 C ATOM 35 F LIG 1 8.400 -1.101 -0.623 0.00 0.00 -0.166 F ATOM 36 F LIG 1 7.330 0.192 -2.007 0.00 0.00 -0.166 F ATOM 37 F LIG 1 6.434 -1.677 -1.348 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -0.848 -4.357 -0.219 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -1.313 -3.448 0.913 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -2.696 2.602 1.106 0.00 0.00 +0.139 C BRANCH 40 41 ATOM 41 N LIG 1 -3.166 3.179 -0.157 0.00 0.00 -0.298 NA ATOM 42 H LIG 1 -4.026 2.688 -0.415 0.00 0.00 +0.123 HD BRANCH 41 43 ATOM 43 C LIG 1 -3.432 4.619 -0.048 0.00 0.00 +0.201 C BRANCH 43 44 ATOM 44 C LIG 1 -4.590 4.975 0.798 0.00 0.00 +0.078 C ATOM 45 N LIG 1 -5.495 5.252 1.471 0.00 0.00 -0.195 NA ENDBRANCH 43 44 ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 10