REMARK Name = BDB047797 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.143 -0.709 -0.156 0.00 0.00 -0.009 A ATOM 2 C LIG 1 -0.755 -1.786 -0.155 0.00 0.00 +0.015 A ATOM 3 C LIG 1 -2.144 -1.580 -0.144 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.619 -0.257 -0.143 0.00 0.00 +0.017 A ATOM 5 C LIG 1 -1.750 0.847 -0.155 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -0.368 0.598 -0.168 0.00 0.00 +0.015 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.077 -2.718 -0.138 0.00 0.00 -0.018 A ATOM 8 C LIG 1 -4.071 -2.844 -1.121 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -4.958 -3.925 -1.117 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -4.878 -4.909 -0.123 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -3.883 -4.795 0.858 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -2.998 -3.712 0.850 0.00 0.00 +0.009 A BRANCH 10 13 ATOM 13 C LIG 1 -5.819 -6.088 -0.130 0.00 0.00 +0.417 C ATOM 14 F LIG 1 -5.329 -7.137 -0.847 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -7.035 -5.801 -0.673 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -6.076 -6.575 1.117 0.00 0.00 -0.166 F ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 5 17 ATOM 17 C LIG 1 -2.273 2.224 -0.155 0.00 0.00 -0.018 A ATOM 18 C LIG 1 -1.857 3.157 -1.118 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -2.353 4.465 -1.119 0.00 0.00 +0.013 A ATOM 20 C LIG 1 -3.286 4.875 -0.157 0.00 0.00 +0.055 A ATOM 21 C LIG 1 -3.698 3.953 0.814 0.00 0.00 +0.013 A ATOM 22 C LIG 1 -3.200 2.646 0.811 0.00 0.00 +0.009 A BRANCH 20 23 ATOM 23 C LIG 1 -3.805 6.291 -0.142 0.00 0.00 +0.417 C ATOM 24 F LIG 1 -5.070 6.392 0.354 0.00 0.00 -0.166 F ATOM 25 F LIG 1 -3.849 6.858 -1.381 0.00 0.00 -0.166 F ATOM 26 F LIG 1 -3.038 7.118 0.620 0.00 0.00 -0.166 F ENDBRANCH 20 23 ENDBRANCH 5 17 BRANCH 1 27 ATOM 27 C LIG 1 1.634 -0.960 -0.211 0.00 0.00 +0.264 C BRANCH 27 28 ATOM 28 O LIG 1 2.307 -0.024 0.629 0.00 0.00 -0.486 OA BRANCH 28 33 ATOM 29 C LIG 1 6.472 0.391 0.377 0.00 0.00 -0.035 A ATOM 30 C LIG 1 5.667 1.384 0.949 0.00 0.00 +0.027 A ATOM 31 C LIG 1 4.280 1.218 1.019 0.00 0.00 +0.083 A ATOM 32 CL LIG 1 3.348 2.486 1.739 0.00 0.00 -0.080 Cl ATOM 33 C LIG 1 3.668 0.063 0.509 0.00 0.00 +0.139 A ATOM 34 C LIG 1 4.473 -0.928 -0.060 0.00 0.00 +0.047 A ATOM 35 C LIG 1 5.862 -0.763 -0.129 0.00 0.00 +0.008 A BRANCH 29 36 ATOM 36 C LIG 1 7.969 0.574 0.283 0.00 0.00 +0.155 C BRANCH 36 38 ATOM 37 O LIG 1 7.774 1.333 -2.047 0.00 0.00 -0.251 OA ATOM 38 C LIG 1 8.434 1.122 -1.044 0.00 0.00 +0.309 C BRANCH 38 39 ATOM 39 O LIG 1 9.762 1.369 -1.046 0.00 0.00 -0.480 OA ATOM 40 H LIG 1 9.936 1.714 -1.947 0.00 0.00 +0.295 HD ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 29 36 ENDBRANCH 28 33 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 10