REMARK Name = BDB036534 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.094 -0.012 -2.286 0.00 0.00 +0.142 A ATOM 2 C LIG 1 1.737 -0.474 -1.103 0.00 0.00 +0.078 A ATOM 3 C LIG 1 0.980 -1.073 -0.085 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -0.392 -1.176 -0.298 0.00 0.00 +0.171 A ATOM 5 C LIG 1 -1.048 -0.729 -1.428 0.00 0.00 +0.068 A ATOM 6 C LIG 1 -2.410 -1.045 -1.178 0.00 0.00 +0.188 A ATOM 7 N LIG 1 -2.561 -1.639 0.008 0.00 0.00 -0.061 NA ATOM 8 O LIG 1 -1.294 -1.724 0.557 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 -0.296 -0.133 -2.458 0.00 0.00 +0.062 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 1.361 1.065 -4.408 0.00 0.00 +0.277 C ATOM 11 O LIG 1 1.944 0.538 -3.222 0.00 0.00 -0.493 OA ENDBRANCH 1 11 BRANCH 2 12 ATOM 12 N LIG 1 3.137 -0.267 -0.988 0.00 0.00 -0.297 N ATOM 13 H LIG 1 3.559 -0.169 -1.914 0.00 0.00 +0.154 HD BRANCH 12 14 ATOM 14 C LIG 1 3.933 -0.256 0.104 0.00 0.00 +0.119 A ATOM 15 N LIG 1 3.505 0.068 1.365 0.00 0.00 -0.264 N ATOM 16 H LIG 1 2.575 0.347 1.648 0.00 0.00 +0.190 HD ATOM 17 N LIG 1 4.474 0.033 2.299 0.00 0.00 -0.177 NA ATOM 18 C LIG 1 5.562 -0.269 1.589 0.00 0.00 +0.071 A ATOM 19 C LIG 1 5.291 -0.444 0.219 0.00 0.00 +0.068 A BRANCH 18 20 ATOM 20 C LIG 1 6.984 -0.419 2.232 0.00 0.00 +0.012 C ATOM 21 C LIG 1 7.464 0.717 3.115 0.00 0.00 +0.014 C ATOM 22 C LIG 1 8.068 0.528 1.754 0.00 0.00 +0.014 C ATOM 23 C LIG 1 7.376 -1.819 2.614 0.00 0.00 +0.018 C ENDBRANCH 18 20 ENDBRANCH 12 14 ENDBRANCH 2 12 BRANCH 6 24 ATOM 24 N LIG 1 -3.450 -0.757 -2.051 0.00 0.00 -0.196 N ATOM 25 H LIG 1 -3.292 -0.131 -2.833 0.00 0.00 +0.175 HD BRANCH 24 26 ATOM 26 S LIG 1 -5.073 -0.894 -1.654 0.00 0.00 +0.081 S ATOM 27 O LIG 1 -5.790 -0.217 -2.720 0.00 0.00 -0.150 OA ATOM 28 O LIG 1 -5.324 -2.293 -1.381 0.00 0.00 -0.150 OA BRANCH 26 29 ATOM 29 C LIG 1 -5.263 0.097 -0.200 0.00 0.00 +0.191 A ATOM 30 C LIG 1 -5.918 -0.389 0.935 0.00 0.00 +0.150 A ATOM 31 C LIG 1 -6.039 0.418 2.073 0.00 0.00 +0.048 A ATOM 32 C LIG 1 -5.481 1.695 2.096 0.00 0.00 +0.007 A ATOM 33 C LIG 1 -4.834 2.187 0.965 0.00 0.00 +0.048 A ATOM 34 C LIG 1 -4.752 1.403 -0.191 0.00 0.00 +0.150 A BRANCH 30 35 ATOM 35 O LIG 1 -6.561 -1.596 0.935 0.00 0.00 -0.493 OA ATOM 36 C LIG 1 -5.871 -2.552 1.743 0.00 0.00 +0.277 C ENDBRANCH 30 35 BRANCH 34 37 ATOM 37 O LIG 1 -4.112 1.918 -1.292 0.00 0.00 -0.493 OA ATOM 38 C LIG 1 -4.894 2.955 -1.894 0.00 0.00 +0.277 C ENDBRANCH 34 37 ENDBRANCH 26 29 ENDBRANCH 24 26 ENDBRANCH 6 24 TORSDOF 9