REMARK Name = BDB047024 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.062 -0.359 -1.911 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 0.719 0.430 -0.919 0.00 0.00 -0.492 OA BRANCH 2 6 ATOM 3 C LIG 1 4.655 -0.227 0.317 0.00 0.00 -0.044 A ATOM 4 C LIG 1 3.872 0.814 0.824 0.00 0.00 +0.007 A ATOM 5 C LIG 1 2.561 0.992 0.377 0.00 0.00 +0.046 A ATOM 6 C LIG 1 2.009 0.138 -0.581 0.00 0.00 +0.121 A ATOM 7 C LIG 1 2.785 -0.904 -1.087 0.00 0.00 +0.046 A ATOM 8 C LIG 1 4.100 -1.085 -0.641 0.00 0.00 +0.007 A BRANCH 3 9 ATOM 9 C LIG 1 6.078 -0.416 0.783 0.00 0.00 +0.078 C BRANCH 9 10 ATOM 10 C LIG 1 7.141 0.036 -0.229 0.00 0.00 +0.230 C BRANCH 10 11 ATOM 11 C LIG 1 7.126 1.565 -0.316 0.00 0.00 +0.334 C ATOM 12 O LIG 1 7.712 2.352 0.411 0.00 0.00 -0.248 OA BRANCH 11 13 ATOM 13 O LIG 1 6.376 2.023 -1.340 0.00 0.00 -0.479 OA ATOM 14 H LIG 1 6.429 2.998 -1.260 0.00 0.00 +0.295 HD ENDBRANCH 11 13 ENDBRANCH 10 11 BRANCH 10 15 ATOM 15 O LIG 1 8.394 -0.487 0.233 0.00 0.00 -0.365 OA BRANCH 15 17 ATOM 16 C LIG 1 10.704 -0.949 -0.142 0.00 0.00 +0.034 C ATOM 17 C LIG 1 9.444 -0.333 -0.720 0.00 0.00 +0.157 C ENDBRANCH 15 17 ENDBRANCH 10 15 ENDBRANCH 9 10 ENDBRANCH 3 9 ENDBRANCH 2 6 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -0.572 -1.611 -1.304 0.00 0.00 +0.082 C BRANCH 18 19 ATOM 19 C LIG 1 -1.636 -1.275 -0.259 0.00 0.00 +0.232 C BRANCH 19 20 ATOM 20 O LIG 1 -2.731 -0.636 -0.916 0.00 0.00 -0.492 OA BRANCH 20 21 ATOM 21 C LIG 1 -3.789 -0.254 -0.138 0.00 0.00 +0.121 A ATOM 22 C LIG 1 -3.901 -0.435 1.242 0.00 0.00 +0.049 A ATOM 23 C LIG 1 -5.045 0.004 1.916 0.00 0.00 +0.050 A ATOM 24 C LIG 1 -6.085 0.611 1.212 0.00 0.00 +0.129 A ATOM 25 C LIG 1 -5.969 0.816 -0.163 0.00 0.00 +0.050 A ATOM 26 C LIG 1 -4.826 0.376 -0.833 0.00 0.00 +0.049 A BRANCH 24 27 ATOM 27 O LIG 1 -7.164 1.048 1.945 0.00 0.00 -0.456 OA BRANCH 27 28 ATOM 28 C LIG 1 -8.418 0.790 1.442 0.00 0.00 +0.128 A ATOM 29 C LIG 1 -8.805 -0.476 0.994 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -10.105 -0.678 0.529 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -11.019 0.376 0.528 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -10.637 1.633 0.998 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -9.338 1.839 1.462 0.00 0.00 +0.046 A ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 14