REMARK Name = BDB048095 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.972 -0.108 1.649 0.00 0.00 +0.174 C ATOM 2 C LIG 1 -0.411 1.237 1.191 0.00 0.00 +0.052 C ENDROOT BRANCH 1 3 ATOM 3 O LIG 1 -2.166 -0.437 0.914 0.00 0.00 -0.488 OA BRANCH 3 7 ATOM 4 C LIG 1 -5.599 1.524 2.264 0.00 0.00 -0.047 A ATOM 5 C LIG 1 -5.067 1.817 1.001 0.00 0.00 +0.019 A ATOM 6 C LIG 1 -3.930 1.144 0.533 0.00 0.00 +0.064 A ATOM 7 C LIG 1 -3.287 0.211 1.354 0.00 0.00 +0.132 A ATOM 8 C LIG 1 -3.833 -0.111 2.599 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -4.981 0.543 3.051 0.00 0.00 +0.007 A BRANCH 4 11 ATOM 10 C LIG 1 -8.106 1.499 2.338 0.00 0.00 +0.009 C ATOM 11 C LIG 1 -6.838 2.230 2.753 0.00 0.00 +0.032 C ENDBRANCH 4 11 BRANCH 6 12 ATOM 12 C LIG 1 -3.422 1.506 -0.811 0.00 0.00 +0.197 C ATOM 13 O LIG 1 -3.365 2.695 -1.120 0.00 0.00 -0.287 OA BRANCH 12 14 ATOM 14 C LIG 1 -3.009 0.472 -1.795 0.00 0.00 +0.022 A ATOM 15 C LIG 1 -2.002 0.790 -2.714 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -1.589 -0.154 -3.655 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -2.190 -1.411 -3.690 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -3.208 -1.727 -2.789 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -3.622 -0.786 -1.844 0.00 0.00 +0.012 A ENDBRANCH 12 14 ENDBRANCH 6 12 ENDBRANCH 3 7 ENDBRANCH 1 3 BRANCH 1 20 ATOM 20 C LIG 1 0.018 -1.272 1.457 0.00 0.00 +0.085 C BRANCH 20 21 ATOM 21 C LIG 1 0.419 -1.550 0.005 0.00 0.00 +0.232 C BRANCH 21 22 ATOM 22 O LIG 1 1.295 -0.550 -0.512 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 2.637 -0.655 -0.285 0.00 0.00 +0.121 A ATOM 24 C LIG 1 3.402 0.362 -0.863 0.00 0.00 +0.049 A ATOM 25 C LIG 1 4.801 0.410 -0.724 0.00 0.00 -0.044 A ATOM 26 C LIG 1 5.546 1.549 -1.365 0.00 0.00 +0.044 C ATOM 27 C LIG 1 5.449 -0.600 0.013 0.00 0.00 -0.044 A ATOM 28 C LIG 1 4.669 -1.612 0.600 0.00 0.00 +0.007 A ATOM 29 C LIG 1 3.279 -1.641 0.453 0.00 0.00 +0.046 A BRANCH 27 30 ATOM 30 C LIG 1 6.952 -0.641 0.209 0.00 0.00 +0.046 C BRANCH 30 31 ATOM 31 C LIG 1 7.625 -1.820 -0.491 0.00 0.00 +0.125 C BRANCH 31 32 ATOM 32 C LIG 1 7.625 -1.650 -1.983 0.00 0.00 +0.305 C ATOM 33 O LIG 1 8.073 -0.699 -2.602 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 7.088 -2.701 -2.630 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 7.133 -2.447 -3.575 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 13