REMARK Name = BDB046709 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.474 -0.436 -1.802 0.00 0.00 +0.082 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.551 -1.217 -2.547 0.00 0.00 +0.232 C BRANCH 2 3 ATOM 3 O LIG 1 -2.658 -1.529 -1.704 0.00 0.00 -0.492 OA BRANCH 3 5 ATOM 4 C LIG 1 -4.874 -1.163 -1.000 0.00 0.00 -0.002 A ATOM 5 C LIG 1 -3.725 -0.673 -1.652 0.00 0.00 +0.124 A ATOM 6 C LIG 1 -3.730 0.626 -2.171 0.00 0.00 +0.049 A ATOM 7 C LIG 1 -4.862 1.437 -2.048 0.00 0.00 +0.050 A ATOM 8 C LIG 1 -5.990 0.964 -1.387 0.00 0.00 +0.129 A ATOM 9 C LIG 1 -6.007 -0.337 -0.883 0.00 0.00 +0.053 A BRANCH 4 10 ATOM 10 C LIG 1 -4.934 -2.557 -0.411 0.00 0.00 +0.038 C BRANCH 10 12 ATOM 11 C LIG 1 -3.446 -2.175 1.626 0.00 0.00 +0.004 C ATOM 12 C LIG 1 -4.821 -2.582 1.117 0.00 0.00 +0.001 C ENDBRANCH 10 12 ENDBRANCH 4 10 BRANCH 8 13 ATOM 13 O LIG 1 -7.077 1.803 -1.320 0.00 0.00 -0.456 OA BRANCH 13 14 ATOM 14 C LIG 1 -7.713 1.918 -0.104 0.00 0.00 +0.128 A ATOM 15 C LIG 1 -9.108 1.896 -0.117 0.00 0.00 +0.046 A ATOM 16 C LIG 1 -9.817 2.038 1.076 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -9.131 2.217 2.278 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -7.736 2.262 2.287 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -7.025 2.120 1.095 0.00 0.00 +0.046 A ENDBRANCH 13 14 ENDBRANCH 8 13 ENDBRANCH 3 5 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 -0.002 -1.162 -0.544 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 1.061 -0.438 0.079 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 2.349 -0.704 -0.292 0.00 0.00 +0.124 A ATOM 23 C LIG 1 3.317 -0.029 0.455 0.00 0.00 +0.091 A ATOM 24 C LIG 1 4.676 -0.204 0.190 0.00 0.00 +0.129 A ATOM 25 O LIG 1 5.537 0.503 0.984 0.00 0.00 -0.474 OA ATOM 26 C LIG 1 6.912 0.093 0.953 0.00 0.00 +0.206 C ATOM 27 C LIG 1 7.376 -0.136 -0.496 0.00 0.00 +0.064 C ATOM 28 C LIG 1 6.543 -1.226 -1.160 0.00 0.00 +0.043 C ATOM 29 C LIG 1 5.088 -1.038 -0.850 0.00 0.00 -0.005 A ATOM 30 C LIG 1 4.119 -1.720 -1.596 0.00 0.00 +0.011 A ATOM 31 C LIG 1 2.757 -1.552 -1.320 0.00 0.00 +0.046 A BRANCH 26 32 ATOM 32 C LIG 1 7.159 -1.173 1.803 0.00 0.00 +0.349 C ATOM 33 O LIG 1 8.025 -2.015 1.611 0.00 0.00 -0.246 OA BRANCH 32 34 ATOM 34 O LIG 1 6.342 -1.287 2.871 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 6.606 -2.128 3.297 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 26 32 BRANCH 26 36 ATOM 36 C LIG 1 7.737 1.214 1.635 0.00 0.00 +0.059 C BRANCH 36 37 ATOM 37 C LIG 1 7.597 2.600 0.994 0.00 0.00 +0.001 C ATOM 38 C LIG 1 8.356 3.654 1.788 0.00 0.00 +0.004 C ENDBRANCH 36 37 ENDBRANCH 26 36 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 14