REMARK Name = BDB033666 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.434 -1.429 -0.014 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.123 -2.776 0.252 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -1.049 -3.902 -0.117 0.00 0.00 +0.044 C ATOM 4 C LIG 1 1.101 -3.081 0.866 0.00 0.00 +0.004 A ATOM 5 C LIG 1 2.008 -2.076 1.217 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.717 -0.732 0.969 0.00 0.00 -0.038 A ATOM 7 C LIG 1 0.494 -0.430 0.343 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -1.719 -0.992 -0.693 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -4.735 -1.114 0.844 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -4.838 -1.537 -0.526 0.00 0.00 -0.485 OA ATOM 11 C LIG 1 -5.060 -0.594 -1.487 0.00 0.00 +0.150 A ATOM 12 C LIG 1 -4.452 0.647 -1.621 0.00 0.00 +0.165 A ATOM 13 C LIG 1 -4.806 1.444 -2.701 0.00 0.00 +0.143 A ATOM 14 N LIG 1 -5.715 1.083 -3.639 0.00 0.00 -0.261 NA ATOM 15 C LIG 1 -6.277 -0.133 -3.501 0.00 0.00 +0.114 A ATOM 16 S LIG 1 -3.189 1.274 -0.587 0.00 0.00 +0.066 S ATOM 17 O LIG 1 -2.175 1.845 -1.449 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -3.829 2.075 0.433 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -2.512 -0.070 0.157 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -5.977 -0.996 -2.461 0.00 0.00 +0.067 A ATOM 21 C LIG 1 -3.298 -0.717 1.232 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -5.934 0.050 2.796 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -5.898 -0.207 1.297 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 2.674 0.421 1.308 0.00 0.00 +0.069 C BRANCH 24 25 ATOM 25 C LIG 1 3.481 0.895 0.101 0.00 0.00 +0.002 A ATOM 26 S LIG 1 4.170 -0.188 -1.033 0.00 0.00 -0.086 S ATOM 27 C LIG 1 4.836 1.073 -1.987 0.00 0.00 +0.096 A ATOM 28 C LIG 1 4.538 2.310 -1.442 0.00 0.00 +0.138 A ATOM 29 C LIG 1 3.753 2.203 -0.254 0.00 0.00 +0.058 A BRANCH 27 30 ATOM 30 C LIG 1 5.613 0.778 -3.191 0.00 0.00 +0.170 C ATOM 31 O LIG 1 6.287 1.620 -3.791 0.00 0.00 -0.292 OA ATOM 32 C LIG 1 5.602 -0.636 -3.732 0.00 0.00 +0.092 C ENDBRANCH 27 30 BRANCH 28 33 ATOM 33 O LIG 1 4.972 3.442 -2.054 0.00 0.00 -0.494 OA ATOM 34 C LIG 1 4.687 4.651 -1.365 0.00 0.00 +0.277 C ENDBRANCH 28 33 ENDBRANCH 24 25 BRANCH 24 35 ATOM 35 C LIG 1 3.525 0.204 2.598 0.00 0.00 +0.107 C ATOM 36 C LIG 1 4.925 -0.379 2.395 0.00 0.00 +0.020 C BRANCH 35 37 ATOM 37 C LIG 1 3.663 1.508 3.372 0.00 0.00 +0.308 C ATOM 38 O LIG 1 3.566 2.629 2.899 0.00 0.00 -0.251 OA BRANCH 37 39 ATOM 39 O LIG 1 3.920 1.318 4.689 0.00 0.00 -0.480 OA ATOM 40 H LIG 1 3.982 0.384 4.964 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 35 37 ENDBRANCH 24 35 ENDBRANCH 6 24 TORSDOF 10