REMARK Name = BDB035595 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.369 0.009 0.661 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.737 0.551 1.324 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.814 1.306 2.276 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.935 0.037 0.649 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.264 0.289 0.941 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.238 -0.325 0.143 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.837 -1.163 -0.926 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.480 -1.410 -1.209 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.537 -0.789 -0.395 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.044 -0.847 -0.445 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.129 -0.178 0.500 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.756 -0.374 0.221 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.738 0.230 0.978 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.126 1.048 2.042 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.476 1.264 2.332 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.470 0.661 1.565 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.151 -0.861 -0.404 0.00 0.00 +0.087 C BRANCH 17 20 ATOM 18 C LIG 1 -5.791 2.182 -1.173 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.507 1.091 -2.065 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.229 -0.220 -1.768 0.00 0.00 +0.140 A ATOM 21 N LIG 1 -5.032 -0.866 -2.904 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -5.175 0.021 -3.941 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -5.457 1.191 -3.423 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -6.569 -1.110 0.164 0.00 0.00 +0.024 C BRANCH 24 25 ATOM 25 C LIG 1 -6.590 -2.311 1.108 0.00 0.00 +0.041 C ATOM 26 C LIG 1 -7.966 -2.663 1.692 0.00 0.00 +0.165 C ATOM 27 O LIG 1 -7.400 -2.811 3.017 0.00 0.00 -0.379 OA ATOM 28 C LIG 1 -6.188 -2.144 2.583 0.00 0.00 +0.165 C ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 2.059 -2.290 -2.355 0.00 0.00 +0.418 C ATOM 30 F LIG 1 1.186 -3.260 -1.964 0.00 0.00 -0.166 F ATOM 31 F LIG 1 3.091 -2.937 -2.961 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.422 -1.589 -3.331 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.710 -0.079 0.402 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.280 0.744 -0.666 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.683 1.562 -0.792 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.696 1.069 -0.423 0.00 0.00 +0.017 C ATOM 37 C LIG 1 8.098 2.168 -1.454 0.00 0.00 +0.022 C ATOM 38 C LIG 1 8.760 2.929 -0.286 0.00 0.00 +0.004 C ATOM 39 C LIG 1 7.811 2.173 0.667 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.630 -0.126 -0.364 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9