REMARK Name = BDB048088 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.076 -0.205 1.609 0.00 0.00 +0.174 C ATOM 2 C LIG 1 -0.330 0.472 2.758 0.00 0.00 +0.052 C ENDROOT BRANCH 1 3 ATOM 3 O LIG 1 -2.098 0.691 1.131 0.00 0.00 -0.488 OA BRANCH 3 7 ATOM 4 C LIG 1 -5.912 -0.581 2.269 0.00 0.00 -0.047 A ATOM 5 C LIG 1 -5.381 -0.986 1.036 0.00 0.00 +0.019 A ATOM 6 C LIG 1 -4.117 -0.539 0.627 0.00 0.00 +0.064 A ATOM 7 C LIG 1 -3.352 0.264 1.478 0.00 0.00 +0.132 A ATOM 8 C LIG 1 -3.884 0.691 2.695 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -5.155 0.265 3.091 0.00 0.00 +0.007 A BRANCH 4 11 ATOM 10 C LIG 1 -7.170 -2.376 3.487 0.00 0.00 +0.009 C ATOM 11 C LIG 1 -7.267 -1.070 2.713 0.00 0.00 +0.032 C ENDBRANCH 4 11 BRANCH 6 12 ATOM 12 C LIG 1 -3.631 -0.976 -0.697 0.00 0.00 +0.197 C ATOM 13 O LIG 1 -3.617 -2.181 -0.939 0.00 0.00 -0.287 OA BRANCH 12 14 ATOM 14 C LIG 1 -3.197 0.005 -1.729 0.00 0.00 +0.022 A ATOM 15 C LIG 1 -2.387 -0.450 -2.777 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -1.950 0.435 -3.765 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -2.332 1.775 -3.717 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -3.154 2.231 -2.686 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -3.590 1.349 -1.695 0.00 0.00 +0.012 A ENDBRANCH 12 14 ENDBRANCH 6 12 ENDBRANCH 3 7 ENDBRANCH 1 3 BRANCH 1 20 ATOM 20 C LIG 1 -0.132 -0.554 0.451 0.00 0.00 +0.085 C BRANCH 20 21 ATOM 21 C LIG 1 0.450 0.658 -0.276 0.00 0.00 +0.232 C BRANCH 21 22 ATOM 22 O LIG 1 1.287 0.232 -1.355 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 2.619 0.044 -1.117 0.00 0.00 +0.121 A ATOM 24 C LIG 1 3.385 -0.188 -2.263 0.00 0.00 +0.049 A ATOM 25 C LIG 1 4.773 -0.399 -2.195 0.00 0.00 -0.044 A ATOM 26 C LIG 1 5.530 -0.640 -3.472 0.00 0.00 +0.044 C ATOM 27 C LIG 1 5.403 -0.402 -0.935 0.00 0.00 -0.044 A ATOM 28 C LIG 1 4.625 -0.171 0.212 0.00 0.00 +0.007 A ATOM 29 C LIG 1 3.248 0.050 0.122 0.00 0.00 +0.046 A BRANCH 27 30 ATOM 30 C LIG 1 6.891 -0.622 -0.773 0.00 0.00 +0.046 C BRANCH 30 31 ATOM 31 C LIG 1 7.693 0.676 -0.789 0.00 0.00 +0.125 C BRANCH 31 32 ATOM 32 C LIG 1 7.637 1.390 0.538 0.00 0.00 +0.305 C ATOM 33 O LIG 1 6.979 2.395 0.755 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 8.401 0.809 1.492 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 8.901 0.029 1.187 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 13