REMARK Name = BDB060748 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.644 -1.244 1.130 0.00 0.00 +0.125 A ATOM 2 C LIG 1 1.947 -0.724 1.136 0.00 0.00 +0.092 A ATOM 3 C LIG 1 2.838 -1.189 0.194 0.00 0.00 +0.143 A ATOM 4 O LIG 1 4.147 -0.788 0.060 0.00 0.00 -0.451 OA ATOM 5 C LIG 1 4.657 -1.513 -1.012 0.00 0.00 +0.176 C ATOM 6 C LIG 1 3.620 -2.419 -1.577 0.00 0.00 +0.231 C ATOM 7 O LIG 1 3.705 -3.198 -2.501 0.00 0.00 -0.283 OA ATOM 8 C LIG 1 5.906 -1.448 -1.491 0.00 0.00 +0.058 C ATOM 9 C LIG 1 2.459 -2.147 -0.740 0.00 0.00 +0.068 A ATOM 10 C LIG 1 1.186 -2.673 -0.782 0.00 0.00 +0.019 A ATOM 11 C LIG 1 0.269 -2.207 0.170 0.00 0.00 +0.046 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 6.970 -0.580 -0.974 0.00 0.00 -0.021 A ATOM 13 C LIG 1 6.747 0.764 -0.655 0.00 0.00 +0.009 A ATOM 14 C LIG 1 7.795 1.572 -0.198 0.00 0.00 +0.015 A ATOM 15 C LIG 1 9.082 1.047 -0.053 0.00 0.00 +0.016 A ATOM 16 C LIG 1 9.314 -0.287 -0.403 0.00 0.00 +0.015 A ATOM 17 C LIG 1 8.267 -1.093 -0.861 0.00 0.00 +0.009 A BRANCH 15 18 ATOM 18 S LIG 1 10.445 2.049 0.499 0.00 0.00 -0.016 S BRANCH 18 19 ATOM 19 C LIG 1 9.870 2.465 2.150 0.00 0.00 +0.448 C ATOM 20 F LIG 1 10.828 3.133 2.839 0.00 0.00 -0.160 F ATOM 21 F LIG 1 9.558 1.362 2.871 0.00 0.00 -0.160 F ATOM 22 F LIG 1 8.776 3.263 2.122 0.00 0.00 -0.160 F ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 8 12 BRANCH 1 23 ATOM 23 O LIG 1 -0.170 -0.718 2.097 0.00 0.00 -0.487 OA BRANCH 23 24 ATOM 24 C LIG 1 -1.457 -1.306 2.310 0.00 0.00 +0.264 C BRANCH 24 31 ATOM 25 C LIG 1 -5.496 -2.097 -0.575 0.00 0.00 +0.047 C ATOM 26 C LIG 1 -4.506 -1.128 0.004 0.00 0.00 -0.008 A ATOM 27 C LIG 1 -4.545 0.246 -0.290 0.00 0.00 +0.128 A ATOM 28 C LIG 1 -3.528 1.102 0.166 0.00 0.00 -0.008 A ATOM 29 C LIG 1 -3.482 2.556 -0.207 0.00 0.00 +0.047 C ATOM 30 C LIG 1 -2.541 0.591 1.023 0.00 0.00 +0.014 A ATOM 31 C LIG 1 -2.515 -0.764 1.376 0.00 0.00 -0.010 A ATOM 32 C LIG 1 -3.507 -1.611 0.865 0.00 0.00 +0.014 A BRANCH 27 33 ATOM 33 O LIG 1 -5.518 0.752 -1.109 0.00 0.00 -0.475 OA BRANCH 33 34 ATOM 34 C LIG 1 -6.777 1.150 -0.511 0.00 0.00 +0.200 C ATOM 35 C LIG 1 -7.003 2.605 -0.953 0.00 0.00 +0.067 C ATOM 36 C LIG 1 -6.855 1.060 1.027 0.00 0.00 +0.067 C BRANCH 34 37 ATOM 37 C LIG 1 -7.907 0.305 -1.158 0.00 0.00 +0.348 C ATOM 38 O LIG 1 -7.747 -0.518 -2.050 0.00 0.00 -0.247 OA BRANCH 37 39 ATOM 39 O LIG 1 -9.155 0.552 -0.683 0.00 0.00 -0.478 OA ATOM 40 H LIG 1 -9.231 1.255 -0.014 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 34 37 ENDBRANCH 33 34 ENDBRANCH 27 33 ENDBRANCH 24 31 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 10