REMARK Name = BDB060801 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.888 -0.294 0.004 0.00 0.00 +0.103 C ATOM 2 C LIG 1 -2.079 -1.189 0.428 0.00 0.00 +0.134 C ATOM 3 C LIG 1 -3.392 -1.070 -0.305 0.00 0.00 +0.003 A ATOM 4 C LIG 1 -4.380 -0.611 0.567 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -5.681 -0.387 0.169 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -5.997 -0.651 -1.165 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -5.021 -1.137 -2.053 0.00 0.00 +0.000 A ATOM 8 N LIG 1 -3.861 -0.447 1.841 0.00 0.00 -0.283 N ATOM 9 H LIG 1 -4.378 -0.142 2.653 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -3.709 -1.357 -1.624 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -2.516 -0.783 1.887 0.00 0.00 +0.243 C ATOM 12 O LIG 1 -1.815 -0.792 2.887 0.00 0.00 -0.273 OA ATOM 13 N LIG 1 -1.583 -2.584 0.430 0.00 0.00 -0.288 NA ATOM 14 H LIG 1 -2.054 -3.136 1.150 0.00 0.00 +0.124 HD ATOM 15 C LIG 1 -0.122 -2.497 0.714 0.00 0.00 +0.168 C ATOM 16 C LIG 1 0.297 -1.289 -0.141 0.00 0.00 +0.058 C ENDROOT BRANCH 1 20 ATOM 17 C LIG 1 -1.975 3.135 -3.687 0.00 0.00 +0.071 C ATOM 18 C LIG 1 -1.556 1.985 -2.849 0.00 0.00 +0.111 A ATOM 19 C LIG 1 -1.648 1.808 -1.446 0.00 0.00 +0.191 A ATOM 20 C LIG 1 -1.114 0.555 -1.212 0.00 0.00 +0.174 A ATOM 21 O LIG 1 -0.741 0.023 -2.411 0.00 0.00 -0.357 OA ATOM 22 N LIG 1 -1.010 0.910 -3.429 0.00 0.00 -0.081 NA BRANCH 19 23 ATOM 23 N LIG 1 -2.187 2.704 -0.475 0.00 0.00 +0.062 N ATOM 24 O LIG 1 -2.292 2.289 0.684 0.00 0.00 -0.126 OA ATOM 25 O LIG 1 -2.518 3.829 -0.868 0.00 0.00 -0.126 OA ENDBRANCH 19 23 ENDBRANCH 1 20 BRANCH 16 26 ATOM 26 C LIG 1 1.624 -0.657 0.232 0.00 0.00 -0.042 A ATOM 27 C LIG 1 1.917 -0.254 1.542 0.00 0.00 +0.004 A ATOM 28 C LIG 1 3.145 0.339 1.849 0.00 0.00 +0.004 A ATOM 29 C LIG 1 4.111 0.547 0.856 0.00 0.00 -0.045 A ATOM 30 C LIG 1 3.815 0.150 -0.454 0.00 0.00 +0.004 A ATOM 31 C LIG 1 2.587 -0.442 -0.763 0.00 0.00 +0.004 A BRANCH 29 32 ATOM 32 C LIG 1 5.453 1.186 1.167 0.00 0.00 +0.013 C ATOM 33 C LIG 1 5.287 2.619 1.677 0.00 0.00 +0.012 C ATOM 34 C LIG 1 6.261 0.344 2.156 0.00 0.00 +0.012 C ENDBRANCH 29 32 ENDBRANCH 16 26 BRANCH 15 35 ATOM 35 C LIG 1 0.702 -3.760 0.390 0.00 0.00 +0.405 C ATOM 36 F LIG 1 0.642 -4.084 -0.921 0.00 0.00 -0.169 F ATOM 37 F LIG 1 2.003 -3.610 0.719 0.00 0.00 -0.169 F ATOM 38 F LIG 1 0.234 -4.820 1.095 0.00 0.00 -0.169 F ENDBRANCH 15 35 TORSDOF 5