REMARK Name = BDB048558 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.659 1.458 0.963 0.00 0.00 +0.256 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.840 1.479 0.829 0.00 0.00 +0.014 C ATOM 3 C LIG 1 -1.603 0.514 0.289 0.00 0.00 +0.007 C BRANCH 3 4 ATOM 4 C LIG 1 -3.069 0.575 0.201 0.00 0.00 -0.018 A ATOM 5 C LIG 1 -3.749 1.759 -0.108 0.00 0.00 +0.053 A ATOM 6 C LIG 1 -5.143 1.786 -0.203 0.00 0.00 +0.125 A ATOM 7 C LIG 1 -5.859 0.611 0.010 0.00 0.00 +0.091 A ATOM 8 C LIG 1 -5.198 -0.590 0.296 0.00 0.00 +0.125 A ATOM 9 C LIG 1 -3.806 -0.603 0.388 0.00 0.00 +0.053 A BRANCH 6 10 ATOM 10 O LIG 1 -5.664 3.016 -0.496 0.00 0.00 -0.489 OA BRANCH 10 11 ATOM 11 C LIG 1 -7.068 3.140 -0.742 0.00 0.00 +0.167 C ATOM 12 C LIG 1 -7.806 3.391 0.570 0.00 0.00 +0.051 C ATOM 13 C LIG 1 -7.245 4.336 -1.676 0.00 0.00 +0.051 C ENDBRANCH 10 11 ENDBRANCH 6 10 BRANCH 8 14 ATOM 14 O LIG 1 -6.032 -1.659 0.475 0.00 0.00 -0.489 OA BRANCH 14 15 ATOM 15 C LIG 1 -5.473 -2.969 0.620 0.00 0.00 +0.167 C ATOM 16 C LIG 1 -5.189 -3.254 2.091 0.00 0.00 +0.051 C ATOM 17 C LIG 1 -6.518 -3.951 0.093 0.00 0.00 +0.051 C ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 3 4 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 O LIG 1 1.201 0.242 0.453 0.00 0.00 -0.488 OA BRANCH 18 22 ATOM 19 C LIG 1 5.296 -0.560 0.675 0.00 0.00 -0.044 A ATOM 20 C LIG 1 4.377 -1.487 0.171 0.00 0.00 +0.007 A ATOM 21 C LIG 1 3.018 -1.171 0.114 0.00 0.00 +0.046 A ATOM 22 C LIG 1 2.553 0.068 0.561 0.00 0.00 +0.121 A ATOM 23 C LIG 1 3.465 0.996 1.062 0.00 0.00 +0.046 A ATOM 24 C LIG 1 4.828 0.683 1.119 0.00 0.00 +0.007 A BRANCH 19 25 ATOM 25 C LIG 1 6.768 -0.889 0.727 0.00 0.00 +0.078 C BRANCH 25 26 ATOM 26 C LIG 1 7.466 -0.819 -0.639 0.00 0.00 +0.230 C BRANCH 26 27 ATOM 27 C LIG 1 7.486 0.615 -1.172 0.00 0.00 +0.334 C ATOM 28 O LIG 1 7.136 0.964 -2.290 0.00 0.00 -0.248 OA BRANCH 27 29 ATOM 29 O LIG 1 8.009 1.520 -0.318 0.00 0.00 -0.479 OA ATOM 30 H LIG 1 8.005 2.356 -0.829 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 26 27 BRANCH 26 31 ATOM 31 O LIG 1 8.782 -1.363 -0.479 0.00 0.00 -0.365 OA BRANCH 31 33 ATOM 32 C LIG 1 10.776 -2.251 -1.439 0.00 0.00 +0.034 C ATOM 33 C LIG 1 9.418 -1.641 -1.726 0.00 0.00 +0.157 C ENDBRANCH 31 33 ENDBRANCH 26 31 ENDBRANCH 25 26 ENDBRANCH 19 25 ENDBRANCH 18 22 ENDBRANCH 1 18 TORSDOF 14