REMARK Name = BDB048557 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.703 0.227 0.753 0.00 0.00 +0.014 C ATOM 2 C LIG 1 -1.580 0.588 -0.198 0.00 0.00 +0.007 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -3.017 0.283 -0.149 0.00 0.00 -0.024 A ATOM 4 C LIG 1 -3.503 -0.942 0.325 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -4.878 -1.228 0.340 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -5.763 -0.250 -0.147 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -5.308 0.982 -0.647 0.00 0.00 -0.017 A ATOM 8 C LIG 1 -3.925 1.227 -0.644 0.00 0.00 +0.016 A BRANCH 5 9 ATOM 9 C LIG 1 -5.379 -2.517 0.846 0.00 0.00 -0.018 A ATOM 10 C LIG 1 -6.231 -3.319 0.069 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -6.706 -4.543 0.549 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -6.338 -4.985 1.817 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -5.494 -4.205 2.604 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -5.019 -2.983 2.122 0.00 0.00 +0.008 A ENDBRANCH 5 9 BRANCH 7 15 ATOM 15 C LIG 1 -6.255 1.988 -1.158 0.00 0.00 -0.018 A ATOM 16 C LIG 1 -6.113 2.526 -2.448 0.00 0.00 +0.008 A ATOM 17 C LIG 1 -7.012 3.479 -2.933 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -8.067 3.913 -2.135 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -8.226 3.393 -0.853 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -7.327 2.438 -0.369 0.00 0.00 +0.008 A ENDBRANCH 7 15 ENDBRANCH 2 3 BRANCH 1 21 ATOM 21 C LIG 1 0.763 0.543 0.709 0.00 0.00 +0.256 C BRANCH 21 22 ATOM 22 O LIG 1 1.466 -0.694 0.811 0.00 0.00 -0.488 OA BRANCH 22 26 ATOM 23 C LIG 1 5.649 -0.802 0.643 0.00 0.00 -0.044 A ATOM 24 C LIG 1 4.862 -1.962 0.700 0.00 0.00 +0.007 A ATOM 25 C LIG 1 3.469 -1.875 0.754 0.00 0.00 +0.046 A ATOM 26 C LIG 1 2.831 -0.635 0.760 0.00 0.00 +0.121 A ATOM 27 C LIG 1 3.604 0.523 0.728 0.00 0.00 +0.046 A ATOM 28 C LIG 1 5.002 0.439 0.678 0.00 0.00 +0.007 A BRANCH 23 29 ATOM 29 C LIG 1 7.157 -0.928 0.609 0.00 0.00 +0.078 C BRANCH 29 30 ATOM 30 C LIG 1 7.944 0.060 -0.279 0.00 0.00 +0.230 C BRANCH 30 31 ATOM 31 C LIG 1 7.328 0.169 -1.690 0.00 0.00 +0.334 C ATOM 32 O LIG 1 6.905 1.201 -2.192 0.00 0.00 -0.248 OA BRANCH 31 33 ATOM 33 O LIG 1 7.350 -0.994 -2.390 0.00 0.00 -0.479 OA ATOM 34 H LIG 1 7.702 -1.765 -1.911 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 30 31 BRANCH 30 35 ATOM 35 O LIG 1 8.048 1.298 0.429 0.00 0.00 -0.365 OA BRANCH 35 37 ATOM 36 C LIG 1 9.535 2.566 -1.062 0.00 0.00 +0.034 C ATOM 37 C LIG 1 9.303 1.964 0.311 0.00 0.00 +0.157 C ENDBRANCH 35 37 ENDBRANCH 30 35 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 12