REMARK Name = BDB035393 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.395 -0.137 0.992 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.828 0.141 1.610 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.089 0.635 2.692 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.883 -0.284 0.682 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.255 -0.210 0.846 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.065 -0.683 -0.195 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.463 -1.202 -1.367 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.064 -1.272 -1.516 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.287 -0.799 -0.463 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.200 -0.731 -0.326 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.165 0.008 1.258 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.844 -0.218 0.792 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.690 0.106 1.528 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.872 0.672 2.790 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.153 0.905 3.292 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.278 0.578 2.536 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.431 -0.376 0.333 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -6.882 -0.359 0.929 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -6.699 -1.854 1.282 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -7.924 -2.735 1.151 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -5.672 -1.919 0.126 0.00 0.00 +0.022 C BRANCH 17 24 ATOM 22 C LIG 1 -5.689 2.777 -0.215 0.00 0.00 +0.151 C ATOM 23 N LIG 1 -5.458 1.770 -1.213 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -5.344 0.419 -1.031 0.00 0.00 +0.144 A ATOM 25 N LIG 1 -5.087 -0.146 -2.193 0.00 0.00 -0.134 NA ATOM 26 N LIG 1 -5.051 0.843 -3.147 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 -5.273 1.987 -2.543 0.00 0.00 +0.224 A ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 1.430 -1.814 -2.769 0.00 0.00 +0.418 C ATOM 29 F LIG 1 2.317 -2.369 -3.639 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.766 -0.852 -3.465 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.511 -2.783 -2.502 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.573 -0.613 -0.086 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 6.093 0.444 -0.955 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.567 1.298 -0.767 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.552 0.601 -0.830 0.00 0.00 +0.017 C ATOM 36 C LIG 1 7.934 1.927 -1.556 0.00 0.00 +0.022 C ATOM 37 C LIG 1 8.800 2.274 -0.326 0.00 0.00 +0.004 C ATOM 38 C LIG 1 7.901 1.329 0.499 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.366 -0.613 -1.242 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7