REMARK Name = BDB059316 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.300 0.206 -0.701 0.00 0.00 +0.259 C ATOM 2 N LIG 1 1.329 0.200 0.224 0.00 0.00 -0.228 N ATOM 3 H LIG 1 1.311 -0.384 1.058 0.00 0.00 +0.171 HD ATOM 4 O LIG 1 0.440 0.679 -1.826 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -3.424 -0.392 -0.527 0.00 0.00 +0.124 A ATOM 6 C LIG 1 -2.167 0.111 -0.880 0.00 0.00 +0.059 A ATOM 7 C LIG 1 -0.999 -0.374 -0.274 0.00 0.00 +0.044 A ATOM 8 C LIG 1 -1.090 -1.391 0.678 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -2.345 -1.883 1.020 0.00 0.00 +0.128 A ATOM 10 F LIG 1 -2.434 -2.858 1.935 0.00 0.00 -0.205 F ATOM 11 C LIG 1 -3.510 -1.395 0.434 0.00 0.00 +0.084 A BRANCH 5 12 ATOM 12 O LIG 1 -4.473 0.180 -1.189 0.00 0.00 -0.492 OA BRANCH 12 13 ATOM 13 C LIG 1 -5.782 -0.303 -0.885 0.00 0.00 +0.229 C BRANCH 13 15 ATOM 14 C LIG 1 -6.832 1.941 -1.417 0.00 0.00 +0.007 C ATOM 15 C LIG 1 -6.798 0.454 -1.738 0.00 0.00 +0.038 C ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 5 12 ENDBRANCH 1 7 BRANCH 2 16 ATOM 16 N LIG 1 2.735 0.454 -0.345 0.00 0.00 -0.108 NA ATOM 17 H LIG 1 2.662 0.741 -1.335 0.00 0.00 +0.172 HD BRANCH 16 18 ATOM 18 S LIG 1 3.756 -0.919 -0.256 0.00 0.00 +0.074 S ATOM 19 O LIG 1 3.895 -1.436 -1.599 0.00 0.00 -0.152 OA ATOM 20 O LIG 1 3.265 -1.741 0.834 0.00 0.00 -0.152 OA BRANCH 18 21 ATOM 21 C LIG 1 5.287 -0.180 0.239 0.00 0.00 +0.107 A ATOM 22 C LIG 1 5.515 0.087 1.592 0.00 0.00 +0.028 A ATOM 23 C LIG 1 6.729 0.650 1.986 0.00 0.00 +0.002 A ATOM 24 C LIG 1 7.709 0.934 1.032 0.00 0.00 +0.000 A ATOM 25 C LIG 1 7.481 0.654 -0.317 0.00 0.00 +0.002 A ATOM 26 C LIG 1 6.269 0.091 -0.718 0.00 0.00 +0.028 A ENDBRANCH 18 21 ENDBRANCH 16 18 ENDBRANCH 2 16 TORSDOF 7