REMARK Name = BDB047042 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.508 -2.217 1.383 0.00 0.00 +0.263 C ATOM 2 N LIG 1 -0.719 -1.042 1.246 0.00 0.00 -0.280 N ATOM 3 C LIG 1 -1.045 0.093 0.493 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -0.071 1.063 0.736 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -0.197 2.338 0.130 0.00 0.00 +0.056 A ATOM 6 C LIG 1 -1.260 2.611 -0.733 0.00 0.00 +0.131 A ATOM 7 C LIG 1 -2.191 1.612 -0.998 0.00 0.00 +0.048 A ATOM 8 C LIG 1 0.927 0.486 1.580 0.00 0.00 -0.014 A ATOM 9 C LIG 1 -2.097 0.347 -0.408 0.00 0.00 +0.030 A ATOM 10 C LIG 1 0.528 -0.820 1.842 0.00 0.00 +0.028 A ATOM 11 C LIG 1 1.217 -1.861 2.665 0.00 0.00 +0.064 C ATOM 12 O LIG 1 -0.942 -3.268 1.681 0.00 0.00 -0.267 OA ENDROOT BRANCH 1 16 ATOM 13 C LIG 1 -5.762 -2.445 0.977 0.00 0.00 +0.120 A ATOM 14 C LIG 1 -5.188 -1.414 1.725 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -3.798 -1.331 1.859 0.00 0.00 +0.017 A ATOM 16 C LIG 1 -2.978 -2.275 1.230 0.00 0.00 +0.040 A ATOM 17 C LIG 1 -3.547 -3.324 0.503 0.00 0.00 +0.017 A ATOM 18 C LIG 1 -4.935 -3.397 0.372 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 -7.988 -1.714 1.383 0.00 0.00 +0.277 C ATOM 20 O LIG 1 -7.099 -2.638 0.768 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 1 16 BRANCH 6 21 ATOM 21 O LIG 1 -1.494 3.789 -1.382 0.00 0.00 -0.406 OA BRANCH 21 22 ATOM 22 C LIG 1 -0.543 4.831 -1.228 0.00 0.00 +0.575 C ATOM 23 F LIG 1 -0.443 5.214 0.065 0.00 0.00 -0.133 F ATOM 24 F LIG 1 -0.949 5.899 -1.950 0.00 0.00 -0.133 F ATOM 25 F LIG 1 0.671 4.454 -1.686 0.00 0.00 -0.133 F ENDBRANCH 21 22 ENDBRANCH 6 21 BRANCH 8 26 ATOM 26 C LIG 1 2.165 1.175 2.085 0.00 0.00 +0.072 C BRANCH 26 27 ATOM 27 C LIG 1 3.121 1.295 0.920 0.00 0.00 -0.040 A ATOM 28 C LIG 1 3.637 0.160 0.277 0.00 0.00 +0.049 A ATOM 29 C LIG 1 4.504 0.289 -0.810 0.00 0.00 +0.122 A ATOM 30 C LIG 1 4.930 1.547 -1.220 0.00 0.00 +0.046 A ATOM 31 C LIG 1 4.448 2.683 -0.572 0.00 0.00 +0.004 A ATOM 32 C LIG 1 3.548 2.560 0.488 0.00 0.00 +0.004 A BRANCH 29 33 ATOM 33 O LIG 1 4.943 -0.866 -1.393 0.00 0.00 -0.478 OA BRANCH 33 34 ATOM 34 C LIG 1 4.525 -1.095 -2.746 0.00 0.00 +0.278 C ATOM 35 C LIG 1 3.074 -0.690 -3.036 0.00 0.00 +0.064 C BRANCH 34 36 ATOM 36 C LIG 1 5.505 -0.582 -3.820 0.00 0.00 +0.346 C ATOM 37 O LIG 1 6.524 0.059 -3.603 0.00 0.00 -0.247 OA BRANCH 36 38 ATOM 38 O LIG 1 5.178 -0.951 -5.085 0.00 0.00 -0.478 OA ATOM 39 H LIG 1 4.392 -1.522 -5.162 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 29 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 10