REMARK Name = BDB034199 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.013 -2.874 0.959 0.00 0.00 -0.487 OA ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 4.516 0.879 0.050 0.00 0.00 -0.282 N ATOM 3 C LIG 1 4.006 0.368 -1.136 0.00 0.00 +0.248 C ATOM 4 O LIG 1 4.379 0.581 -2.273 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 2.898 -0.523 -0.773 0.00 0.00 +0.042 A ATOM 6 C LIG 1 2.840 -0.594 0.619 0.00 0.00 -0.015 A ATOM 7 C LIG 1 1.880 -1.374 1.238 0.00 0.00 +0.051 A ATOM 8 C LIG 1 0.972 -2.059 0.422 0.00 0.00 +0.121 A ATOM 9 C LIG 1 1.056 -2.000 -0.981 0.00 0.00 +0.046 A ATOM 10 C LIG 1 2.030 -1.215 -1.597 0.00 0.00 +0.017 A ATOM 11 C LIG 1 3.930 0.229 1.215 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 9.498 3.083 -0.815 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 8.361 2.648 -0.644 0.00 0.00 +0.219 C ATOM 14 N LIG 1 8.145 1.314 -0.413 0.00 0.00 -0.255 N ATOM 15 H LIG 1 8.964 0.723 -0.438 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 6.988 0.715 0.031 0.00 0.00 +0.240 C ATOM 17 O LIG 1 7.001 -0.456 0.408 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 5.761 1.633 0.153 0.00 0.00 +0.163 C ATOM 19 C LIG 1 5.867 2.791 -0.839 0.00 0.00 +0.041 C ATOM 20 C LIG 1 7.155 3.557 -0.579 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 -0.981 -2.151 1.716 0.00 0.00 +0.190 C ATOM 22 C LIG 1 -2.367 -2.254 1.009 0.00 0.00 +0.097 C ATOM 23 C LIG 1 -2.722 -3.751 0.805 0.00 0.00 +0.022 C ATOM 24 C LIG 1 -2.268 -4.663 1.949 0.00 0.00 +0.002 C ATOM 25 C LIG 1 -2.078 -3.903 3.251 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -1.043 -2.783 3.120 0.00 0.00 +0.046 C BRANCH 22 27 ATOM 27 N LIG 1 -2.407 -1.562 -0.305 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -2.317 -0.087 -0.179 0.00 0.00 +0.094 C ATOM 29 C LIG 1 -3.860 0.016 -0.212 0.00 0.00 +0.047 C ATOM 30 C LIG 1 -3.790 -1.405 -0.822 0.00 0.00 +0.094 C BRANCH 29 31 ATOM 31 C LIG 1 -4.567 1.177 -1.032 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -5.838 0.996 -1.612 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -6.488 2.014 -2.320 0.00 0.00 +0.012 A ATOM 34 C LIG 1 -5.889 3.269 -2.467 0.00 0.00 +0.055 A ATOM 35 C LIG 1 -4.625 3.474 -1.901 0.00 0.00 +0.012 A ATOM 36 C LIG 1 -3.985 2.449 -1.196 0.00 0.00 +0.004 A BRANCH 34 37 ATOM 37 C LIG 1 -6.568 4.375 -3.235 0.00 0.00 +0.417 C ATOM 38 F LIG 1 -6.040 4.546 -4.478 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -6.466 5.586 -2.616 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -7.902 4.167 -3.421 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 29 31 ENDBRANCH 22 27 ENDBRANCH 1 21 TORSDOF 6