REMARK Name = BDB046700 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.412 1.289 1.725 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.773 0.362 1.968 0.00 0.00 +0.082 C BRANCH 2 3 ATOM 3 C LIG 1 1.664 0.238 0.735 0.00 0.00 +0.232 C BRANCH 3 4 ATOM 4 O LIG 1 2.775 -0.598 1.087 0.00 0.00 -0.492 OA BRANCH 4 6 ATOM 5 C LIG 1 4.982 0.207 0.627 0.00 0.00 -0.002 A ATOM 6 C LIG 1 3.809 -0.434 0.202 0.00 0.00 +0.124 A ATOM 7 C LIG 1 3.703 -0.960 -1.088 0.00 0.00 +0.049 A ATOM 8 C LIG 1 4.764 -0.825 -1.983 0.00 0.00 +0.050 A ATOM 9 C LIG 1 5.937 -0.190 -1.578 0.00 0.00 +0.129 A ATOM 10 C LIG 1 6.041 0.338 -0.287 0.00 0.00 +0.053 A BRANCH 5 11 ATOM 11 C LIG 1 5.133 0.765 2.023 0.00 0.00 +0.038 C BRANCH 11 13 ATOM 12 C LIG 1 5.536 -1.427 3.264 0.00 0.00 +0.004 C ATOM 13 C LIG 1 6.079 -0.047 2.914 0.00 0.00 +0.001 C ENDBRANCH 11 13 ENDBRANCH 5 11 BRANCH 9 14 ATOM 14 O LIG 1 6.933 -0.059 -2.521 0.00 0.00 -0.456 OA BRANCH 14 15 ATOM 15 C LIG 1 8.223 -0.305 -2.111 0.00 0.00 +0.128 A ATOM 16 C LIG 1 9.189 0.647 -2.436 0.00 0.00 +0.046 A ATOM 17 C LIG 1 10.520 0.437 -2.073 0.00 0.00 +0.004 A ATOM 18 C LIG 1 10.884 -0.733 -1.402 0.00 0.00 +0.000 A ATOM 19 C LIG 1 9.918 -1.695 -1.097 0.00 0.00 +0.004 A ATOM 20 C LIG 1 8.586 -1.487 -1.457 0.00 0.00 +0.046 A ENDBRANCH 14 15 ENDBRANCH 9 14 ENDBRANCH 4 6 ENDBRANCH 3 4 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 O LIG 1 -1.299 0.660 0.798 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 -2.520 1.260 0.647 0.00 0.00 +0.124 A ATOM 23 C LIG 1 -3.558 0.411 0.256 0.00 0.00 +0.091 A ATOM 24 C LIG 1 -4.848 0.910 0.067 0.00 0.00 +0.129 A ATOM 25 O LIG 1 -5.787 -0.007 -0.321 0.00 0.00 -0.474 OA ATOM 26 C LIG 1 -7.119 0.455 -0.601 0.00 0.00 +0.206 C ATOM 27 C LIG 1 -7.505 1.691 0.241 0.00 0.00 +0.064 C ATOM 28 C LIG 1 -6.494 2.811 0.055 0.00 0.00 +0.043 C ATOM 29 C LIG 1 -5.114 2.266 0.259 0.00 0.00 -0.005 A ATOM 30 C LIG 1 -4.064 3.121 0.617 0.00 0.00 +0.011 A ATOM 31 C LIG 1 -2.774 2.620 0.814 0.00 0.00 +0.046 A BRANCH 26 32 ATOM 32 C LIG 1 -7.289 0.816 -2.094 0.00 0.00 +0.349 C ATOM 33 O LIG 1 -8.327 1.233 -2.589 0.00 0.00 -0.246 OA BRANCH 32 34 ATOM 34 O LIG 1 -6.164 0.642 -2.830 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 -5.436 0.287 -2.276 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 26 32 BRANCH 26 36 ATOM 36 C LIG 1 -8.103 -0.695 -0.244 0.00 0.00 +0.062 C BRANCH 36 37 ATOM 37 C LIG 1 -7.689 -2.139 -0.612 0.00 0.00 -0.013 C ATOM 38 C LIG 1 -8.736 -3.118 -0.063 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -7.524 -2.368 -2.112 0.00 0.00 +0.007 C ENDBRANCH 36 37 ENDBRANCH 26 36 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 14