REMARK Name = BDB038425 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.913 0.357 -3.484 0.00 0.00 -0.021 A ATOM 2 C LIG 1 3.425 -0.903 -3.087 0.00 0.00 +0.018 A ATOM 3 C LIG 1 2.690 -1.783 -2.269 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.424 -1.368 -1.870 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.417 -2.066 -1.010 0.00 0.00 +0.151 C ATOM 6 N LIG 1 -0.687 -1.120 -0.974 0.00 0.00 -0.248 N ATOM 7 C LIG 1 -0.425 0.030 -1.703 0.00 0.00 +0.253 C ATOM 8 O LIG 1 -1.095 1.029 -1.886 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.918 -0.136 -2.274 0.00 0.00 +0.043 A ATOM 10 C LIG 1 1.629 0.739 -3.077 0.00 0.00 +0.019 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.845 -1.434 -0.240 0.00 0.00 +0.129 A ATOM 12 N LIG 1 -1.827 -2.607 0.431 0.00 0.00 -0.236 NA ATOM 13 C LIG 1 -2.902 -2.978 1.171 0.00 0.00 +0.047 A ATOM 14 C LIG 1 -4.034 -2.172 1.233 0.00 0.00 +0.032 A ATOM 15 C LIG 1 -4.064 -0.947 0.563 0.00 0.00 -0.012 A ATOM 16 C LIG 1 -2.944 -0.588 -0.194 0.00 0.00 +0.052 A BRANCH 15 17 ATOM 17 C LIG 1 -5.236 -0.053 0.661 0.00 0.00 -0.007 A ATOM 18 C LIG 1 -5.706 0.460 1.896 0.00 0.00 +0.030 A ATOM 19 C LIG 1 -6.850 1.272 1.932 0.00 0.00 +0.050 A ATOM 20 C LIG 1 -7.509 1.593 0.754 0.00 0.00 +0.124 A ATOM 21 F LIG 1 -8.594 2.377 0.798 0.00 0.00 -0.205 F ATOM 22 C LIG 1 -7.056 1.123 -0.469 0.00 0.00 +0.039 A ATOM 23 C LIG 1 -5.928 0.302 -0.515 0.00 0.00 +0.012 A BRANCH 18 24 ATOM 24 C LIG 1 -5.037 0.169 3.161 0.00 0.00 +0.164 A ATOM 25 N LIG 1 -3.883 0.759 3.613 0.00 0.00 -0.317 N ATOM 26 C LIG 1 -3.137 1.815 2.984 0.00 0.00 +0.152 C ATOM 27 C LIG 1 -3.598 0.178 4.810 0.00 0.00 +0.225 A ATOM 28 N LIG 1 -4.524 -0.707 5.098 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -5.434 -0.707 4.067 0.00 0.00 -0.129 NA ENDBRANCH 18 24 ENDBRANCH 15 17 BRANCH 13 30 ATOM 30 C LIG 1 -2.834 -4.288 1.916 0.00 0.00 +0.038 C ATOM 31 C LIG 1 -3.149 -4.357 3.393 0.00 0.00 +0.010 C ATOM 32 C LIG 1 -1.731 -4.500 2.930 0.00 0.00 +0.010 C ENDBRANCH 13 30 ENDBRANCH 6 11 BRANCH 3 33 ATOM 33 C LIG 1 3.244 -3.114 -1.838 0.00 0.00 +0.418 C ATOM 34 F LIG 1 2.473 -4.153 -2.262 0.00 0.00 -0.166 F ATOM 35 F LIG 1 4.499 -3.364 -2.298 0.00 0.00 -0.166 F ATOM 36 F LIG 1 3.310 -3.228 -0.483 0.00 0.00 -0.166 F ENDBRANCH 3 33 BRANCH 1 37 ATOM 37 C LIG 1 3.734 1.270 -4.368 0.00 0.00 +0.195 C BRANCH 37 38 ATOM 38 O LIG 1 5.092 1.290 -3.929 0.00 0.00 -0.375 OA BRANCH 38 39 ATOM 39 C LIG 1 5.492 2.501 -3.287 0.00 0.00 +0.165 C BRANCH 39 43 ATOM 40 C LIG 1 5.848 1.486 1.443 0.00 0.00 +0.104 C ATOM 41 N LIG 1 5.959 2.214 0.187 0.00 0.00 -0.305 NA ATOM 42 C LIG 1 5.276 1.538 -0.923 0.00 0.00 +0.090 C ATOM 43 C LIG 1 4.889 2.664 -1.893 0.00 0.00 +0.030 C ATOM 44 C LIG 1 5.353 3.947 -1.203 0.00 0.00 +0.022 C ATOM 45 C LIG 1 5.394 3.559 0.263 0.00 0.00 +0.084 C ENDBRANCH 39 43 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 9