REMARK Name = BDB048087 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.385 0.901 1.150 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -2.367 0.269 0.334 0.00 0.00 -0.491 OA BRANCH 2 6 ATOM 3 C LIG 1 -5.200 2.402 -1.907 0.00 0.00 -0.047 A ATOM 4 C LIG 1 -5.138 1.006 -1.935 0.00 0.00 +0.019 A ATOM 5 C LIG 1 -4.201 0.320 -1.149 0.00 0.00 +0.064 A ATOM 6 C LIG 1 -3.284 1.020 -0.345 0.00 0.00 +0.131 A ATOM 7 C LIG 1 -3.356 2.415 -0.316 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -4.309 3.098 -1.082 0.00 0.00 +0.007 A BRANCH 3 10 ATOM 9 C LIG 1 -7.528 3.331 -1.978 0.00 0.00 +0.009 C ATOM 10 C LIG 1 -6.221 3.141 -2.733 0.00 0.00 +0.032 C ENDBRANCH 3 10 BRANCH 5 11 ATOM 11 C LIG 1 -4.201 -1.159 -1.242 0.00 0.00 +0.197 C ATOM 12 O LIG 1 -4.196 -1.677 -2.357 0.00 0.00 -0.287 OA BRANCH 11 13 ATOM 13 C LIG 1 -4.251 -2.018 -0.028 0.00 0.00 +0.022 A ATOM 14 C LIG 1 -3.757 -3.325 -0.117 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -3.799 -4.170 0.994 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -4.344 -3.715 2.194 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -4.853 -2.419 2.285 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -4.812 -1.571 1.175 0.00 0.00 +0.012 A ENDBRANCH 11 13 ENDBRANCH 5 11 ENDBRANCH 2 6 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -0.168 1.340 0.344 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 C LIG 1 0.433 0.192 -0.466 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 1.617 0.630 -1.137 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 2.823 0.480 -0.513 0.00 0.00 +0.121 A ATOM 23 C LIG 1 3.029 0.087 0.809 0.00 0.00 +0.049 A ATOM 24 C LIG 1 4.329 -0.017 1.317 0.00 0.00 +0.049 A ATOM 25 C LIG 1 5.423 0.247 0.496 0.00 0.00 +0.122 A ATOM 26 C LIG 1 5.226 0.688 -0.808 0.00 0.00 +0.049 A ATOM 27 C LIG 1 3.928 0.790 -1.312 0.00 0.00 +0.049 A BRANCH 25 28 ATOM 28 O LIG 1 6.683 0.205 1.017 0.00 0.00 -0.475 OA BRANCH 28 29 ATOM 29 C LIG 1 7.395 -1.054 0.878 0.00 0.00 +0.200 C ATOM 30 C LIG 1 7.696 -1.403 -0.583 0.00 0.00 +0.067 C ATOM 31 C LIG 1 6.708 -2.208 1.614 0.00 0.00 +0.067 C BRANCH 29 32 ATOM 32 C LIG 1 8.751 -0.812 1.574 0.00 0.00 +0.348 C ATOM 33 O LIG 1 9.633 -1.651 1.692 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 8.890 0.448 2.061 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 8.075 0.962 1.866 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 13