REMARK Name = BDB036008 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.526 -1.103 0.586 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.740 -2.002 -0.487 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.684 -2.425 -1.320 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.415 -1.923 -1.048 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.116 -2.185 -1.741 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.832 -1.351 -1.014 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.214 -0.687 0.051 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.675 0.039 0.914 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.210 -1.042 0.007 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.233 -0.618 0.834 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.206 -1.280 -1.371 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.075 -0.361 -0.761 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.456 -0.280 -1.053 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -4.938 -1.180 -2.021 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -4.096 -2.085 -2.665 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.740 -2.130 -2.345 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.436 0.761 -0.315 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -4.849 2.131 0.169 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -6.055 2.870 -0.444 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -7.125 3.346 0.526 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -6.369 1.601 -1.260 0.00 0.00 +0.022 C BRANCH 17 22 ATOM 22 C LIG 1 -6.236 -0.004 0.826 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -5.737 -0.569 1.969 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -4.374 -0.624 2.423 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -6.805 -1.115 2.614 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -7.895 -0.910 1.914 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -7.536 -0.219 0.782 0.00 0.00 -0.134 NA ENDBRANCH 17 22 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 2.911 -3.377 -2.463 0.00 0.00 +0.418 C ATOM 29 F LIG 1 4.196 -3.808 -2.571 0.00 0.00 -0.166 F ATOM 30 F LIG 1 2.596 -2.821 -3.665 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.143 -4.496 -2.360 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 4.682 -0.665 1.464 0.00 0.00 +0.119 C BRANCH 32 40 ATOM 33 C LIG 1 7.287 1.531 -1.520 0.00 0.00 +0.015 C ATOM 34 C LIG 1 6.845 0.918 -0.191 0.00 0.00 +0.069 C ATOM 35 C LIG 1 7.736 1.382 0.954 0.00 0.00 +0.254 C ATOM 36 F LIG 1 9.007 0.952 0.747 0.00 0.00 -0.205 F ATOM 37 F LIG 1 7.791 2.739 0.982 0.00 0.00 -0.205 F ATOM 38 C LIG 1 7.259 0.881 2.302 0.00 0.00 +0.091 C ATOM 39 C LIG 1 5.794 1.243 2.507 0.00 0.00 +0.090 C ATOM 40 N LIG 1 4.917 0.786 1.420 0.00 0.00 -0.298 NA ATOM 41 C LIG 1 5.390 1.286 0.119 0.00 0.00 +0.093 C ENDBRANCH 32 40 ENDBRANCH 1 32 TORSDOF 6