REMARK Name = BDB035524 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.502 0.468 1.059 0.00 0.00 -0.029 A ATOM 2 C LIG 1 2.827 -0.179 2.126 0.00 0.00 +0.018 A ATOM 3 C LIG 1 1.440 -0.427 2.093 0.00 0.00 +0.061 A ATOM 4 C LIG 1 0.747 -0.014 0.960 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.704 -0.144 0.628 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.813 0.469 -0.689 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.429 0.938 -1.133 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.750 1.520 -2.153 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.407 0.619 -0.085 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.767 0.873 -0.066 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.043 0.524 -1.403 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.239 0.073 -0.808 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.494 0.084 -1.465 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -4.485 0.559 -2.792 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.322 1.022 -3.403 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.113 1.009 -2.709 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.867 -0.424 -0.776 0.00 0.00 +0.066 C ATOM 18 C LIG 1 -5.872 -0.927 0.704 0.00 0.00 +0.095 C ATOM 19 C LIG 1 -5.658 -2.356 0.164 0.00 0.00 +0.251 C ATOM 20 F LIG 1 -6.316 -3.332 0.827 0.00 0.00 -0.206 F ATOM 21 F LIG 1 -4.365 -2.746 0.087 0.00 0.00 -0.206 F ATOM 22 C LIG 1 -6.297 -1.885 -1.157 0.00 0.00 +0.095 C BRANCH 17 23 ATOM 23 C LIG 1 -7.017 0.642 -0.997 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -7.018 1.959 -0.624 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -5.978 2.689 0.048 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -8.213 2.465 -1.033 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -8.910 1.519 -1.618 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -8.156 0.370 -1.599 0.00 0.00 -0.134 NA ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 0.735 -1.124 3.224 0.00 0.00 +0.418 C ATOM 30 F LIG 1 1.519 -1.342 4.314 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.246 -2.339 2.857 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.339 -0.414 3.671 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 34 ATOM 33 C LIG 1 5.329 1.775 2.179 0.00 0.00 +0.029 C ATOM 34 C LIG 1 5.004 0.724 1.110 0.00 0.00 +0.081 C BRANCH 34 35 ATOM 35 N LIG 1 5.718 -0.534 1.377 0.00 0.00 -0.304 NA ATOM 36 H LIG 1 6.003 -0.580 2.353 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 6.799 -0.806 0.419 0.00 0.00 +0.017 C ATOM 38 C LIG 1 6.200 -1.171 -0.969 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.130 -2.403 -0.976 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.152 -2.317 0.565 0.00 0.00 +0.022 C ATOM 41 C LIG 1 7.977 0.147 0.499 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 1 34 TORSDOF 7