REMARK Name = BDB046699 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.254 -0.424 2.534 0.00 0.00 +0.229 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 0.970 -0.517 1.306 0.00 0.00 -0.492 OA BRANCH 2 4 ATOM 3 C LIG 1 2.897 -1.088 0.086 0.00 0.00 -0.002 A ATOM 4 C LIG 1 2.321 -0.729 1.321 0.00 0.00 +0.124 A ATOM 5 C LIG 1 3.138 -0.588 2.447 0.00 0.00 +0.049 A ATOM 6 C LIG 1 4.516 -0.796 2.356 0.00 0.00 +0.050 A ATOM 7 C LIG 1 5.091 -1.127 1.133 0.00 0.00 +0.129 A ATOM 8 C LIG 1 4.286 -1.294 0.006 0.00 0.00 +0.053 A BRANCH 3 9 ATOM 9 C LIG 1 2.065 -1.259 -1.168 0.00 0.00 +0.038 C BRANCH 9 11 ATOM 10 C LIG 1 1.526 1.191 -1.628 0.00 0.00 +0.004 C ATOM 11 C LIG 1 2.175 -0.084 -2.145 0.00 0.00 +0.001 C ENDBRANCH 9 11 ENDBRANCH 3 9 BRANCH 7 12 ATOM 12 O LIG 1 6.450 -1.341 1.116 0.00 0.00 -0.456 OA BRANCH 12 13 ATOM 13 C LIG 1 7.170 -0.764 0.094 0.00 0.00 +0.128 A ATOM 14 C LIG 1 8.145 -1.554 -0.516 0.00 0.00 +0.046 A ATOM 15 C LIG 1 8.932 -1.023 -1.538 0.00 0.00 +0.004 A ATOM 16 C LIG 1 8.753 0.302 -1.938 0.00 0.00 +0.000 A ATOM 17 C LIG 1 7.793 1.098 -1.313 0.00 0.00 +0.004 A ATOM 18 C LIG 1 7.005 0.569 -0.290 0.00 0.00 +0.046 A ENDBRANCH 12 13 ENDBRANCH 7 12 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 0.116 1.024 3.008 0.00 0.00 +0.044 C BRANCH 19 20 ATOM 20 C LIG 1 -0.417 2.019 1.968 0.00 0.00 +0.044 C BRANCH 20 21 ATOM 21 C LIG 1 -1.851 1.749 1.510 0.00 0.00 +0.229 C BRANCH 21 22 ATOM 22 O LIG 1 -1.858 0.628 0.631 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 -3.065 0.220 0.140 0.00 0.00 +0.124 A ATOM 24 C LIG 1 -4.296 0.830 0.374 0.00 0.00 +0.091 A ATOM 25 C LIG 1 -5.458 0.305 -0.200 0.00 0.00 +0.128 A ATOM 26 O LIG 1 -6.620 0.969 0.090 0.00 0.00 -0.477 OA ATOM 27 C LIG 1 -7.725 0.650 -0.764 0.00 0.00 +0.281 C ATOM 28 C LIG 1 -7.891 -0.859 -0.906 0.00 0.00 +0.061 C ATOM 29 C LIG 1 -6.656 -1.426 -1.589 0.00 0.00 +0.043 C ATOM 30 C LIG 1 -5.408 -0.849 -0.988 0.00 0.00 -0.005 A ATOM 31 C LIG 1 -4.169 -1.450 -1.232 0.00 0.00 +0.011 A ATOM 32 C LIG 1 -3.008 -0.916 -0.669 0.00 0.00 +0.046 A BRANCH 27 33 ATOM 33 C LIG 1 -8.990 1.266 -0.177 0.00 0.00 +0.346 C ATOM 34 O LIG 1 -9.110 1.882 0.871 0.00 0.00 -0.247 OA BRANCH 33 35 ATOM 35 O LIG 1 -10.069 1.102 -0.976 0.00 0.00 -0.478 OA ATOM 36 H LIG 1 -10.786 1.559 -0.487 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 27 33 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 13