REMARK Name = BDB037499 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.311 -1.927 1.590 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.603 -0.872 1.496 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.347 0.349 0.908 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -1.449 1.185 1.246 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.331 0.495 1.989 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.900 0.628 0.146 0.00 0.00 +0.084 C ATOM 7 C LIG 1 2.020 -0.315 0.623 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.935 -0.803 1.888 0.00 0.00 -0.217 N ATOM 9 C LIG 1 1.560 -1.755 0.969 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.338 -2.703 0.792 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.488 0.520 -1.320 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.175 -0.701 -1.946 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -0.214 -0.734 -3.287 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.289 0.447 -4.012 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -0.667 0.411 -5.296 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.020 1.665 -3.424 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.408 1.701 -2.085 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -2.930 -1.816 1.951 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -2.844 -2.957 1.140 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -3.858 -3.916 1.176 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.965 -3.734 2.004 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.069 -2.587 2.790 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.059 -1.623 2.758 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 4 24 ATOM 24 C LIG 1 -1.603 2.619 0.924 0.00 0.00 +0.268 C ATOM 25 N LIG 1 -2.876 3.187 0.743 0.00 0.00 -0.283 N ATOM 26 C LIG 1 -2.940 4.629 0.545 0.00 0.00 +0.133 C ATOM 27 O LIG 1 -0.591 3.310 0.795 0.00 0.00 -0.268 OA BRANCH 25 28 ATOM 28 C LIG 1 -4.176 2.479 0.679 0.00 0.00 +0.181 C BRANCH 28 29 ATOM 29 C LIG 1 -4.709 2.086 2.004 0.00 0.00 +0.085 C ATOM 30 N LIG 1 -5.221 1.827 3.014 0.00 0.00 -0.195 NA ENDBRANCH 28 29 BRANCH 28 31 ATOM 31 C LIG 1 -4.250 1.391 -0.402 0.00 0.00 +0.065 C BRANCH 31 32 ATOM 32 C LIG 1 -5.636 0.771 -0.530 0.00 0.00 +0.158 C BRANCH 32 33 ATOM 33 O LIG 1 -5.635 -0.099 -1.654 0.00 0.00 -0.395 OA ATOM 34 H LIG 1 -6.481 -0.581 -1.646 0.00 0.00 +0.209 HD ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 25 28 ENDBRANCH 4 24 BRANCH 7 35 ATOM 35 N LIG 1 3.169 -0.408 -0.284 0.00 0.00 -0.299 N ATOM 36 H LIG 1 3.525 -1.346 -0.439 0.00 0.00 +0.150 HD ATOM 37 C LIG 1 4.005 0.663 -0.492 0.00 0.00 +0.245 C ATOM 38 O LIG 1 3.802 1.772 -0.013 0.00 0.00 -0.270 OA BRANCH 37 39 ATOM 39 C LIG 1 5.221 0.406 -1.311 0.00 0.00 +0.037 A ATOM 40 C LIG 1 6.343 1.222 -1.111 0.00 0.00 +0.025 A ATOM 41 C LIG 1 7.518 1.020 -1.854 0.00 0.00 +0.056 A ATOM 42 C LIG 1 7.542 0.001 -2.819 0.00 0.00 +0.012 A ATOM 43 C LIG 1 6.421 -0.803 -3.031 0.00 0.00 +0.001 A ATOM 44 C LIG 1 5.260 -0.601 -2.282 0.00 0.00 +0.013 A BRANCH 41 45 ATOM 45 C LIG 1 8.716 1.910 -1.637 0.00 0.00 +0.417 C ATOM 46 F LIG 1 9.880 1.361 -2.086 0.00 0.00 -0.166 F ATOM 47 F LIG 1 8.930 2.201 -0.324 0.00 0.00 -0.166 F ATOM 48 F LIG 1 8.598 3.107 -2.275 0.00 0.00 -0.166 F ENDBRANCH 41 45 ENDBRANCH 37 39 ENDBRANCH 7 35 BRANCH 1 50 ATOM 49 C LIG 1 0.968 -3.061 3.690 0.00 0.00 +0.025 C ATOM 50 C LIG 1 0.147 -3.131 2.407 0.00 0.00 +0.112 C ENDBRANCH 1 50 TORSDOF 12