REMARK Name = BDB064767 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.352 1.789 1.595 0.00 0.00 +0.048 A ATOM 2 C LIG 1 2.524 1.462 0.523 0.00 0.00 +0.025 A ATOM 3 C LIG 1 1.136 1.533 0.670 0.00 0.00 +0.010 A ATOM 4 C LIG 1 0.564 1.923 1.891 0.00 0.00 -0.018 A ATOM 5 C LIG 1 1.413 2.240 2.961 0.00 0.00 +0.010 A ATOM 6 C LIG 1 2.802 2.171 2.816 0.00 0.00 +0.025 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -0.889 1.985 2.046 0.00 0.00 -0.018 A ATOM 8 C LIG 1 -1.610 0.861 2.475 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -3.000 0.916 2.616 0.00 0.00 +0.025 A ATOM 10 C LIG 1 -3.682 2.097 2.328 0.00 0.00 +0.048 A ATOM 11 C LIG 1 -2.979 3.223 1.905 0.00 0.00 +0.025 A ATOM 12 C LIG 1 -1.590 3.167 1.766 0.00 0.00 +0.010 A BRANCH 10 13 ATOM 13 N LIG 1 -5.101 2.117 2.425 0.00 0.00 -0.216 N ATOM 14 H LIG 1 -5.541 1.483 3.088 0.00 0.00 +0.174 HD BRANCH 13 15 ATOM 15 S LIG 1 -6.015 2.272 1.010 0.00 0.00 +0.072 S ATOM 16 O LIG 1 -7.376 1.933 1.374 0.00 0.00 -0.150 OA ATOM 17 O LIG 1 -5.702 3.532 0.370 0.00 0.00 -0.150 OA BRANCH 15 18 ATOM 18 C LIG 1 -5.392 0.956 -0.012 0.00 0.00 +0.109 A ATOM 19 C LIG 1 -4.437 1.231 -0.994 0.00 0.00 +0.029 A ATOM 20 C LIG 1 -3.941 0.191 -1.780 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -4.406 -1.121 -1.600 0.00 0.00 -0.048 A ATOM 22 C LIG 1 -5.378 -1.377 -0.622 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -5.878 -0.342 0.168 0.00 0.00 +0.029 A BRANCH 21 24 ATOM 24 C LIG 1 -3.846 -2.246 -2.433 0.00 0.00 +0.032 C ATOM 25 C LIG 1 -2.578 -2.823 -1.820 0.00 0.00 +0.009 C ENDBRANCH 21 24 ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 26 ATOM 26 N LIG 1 4.761 1.672 1.456 0.00 0.00 -0.216 N ATOM 27 H LIG 1 5.332 2.437 1.813 0.00 0.00 +0.174 HD BRANCH 26 28 ATOM 28 S LIG 1 5.470 0.181 1.830 0.00 0.00 +0.072 S ATOM 29 O LIG 1 4.764 -0.423 2.939 0.00 0.00 -0.150 OA ATOM 30 O LIG 1 6.895 0.427 1.903 0.00 0.00 -0.150 OA BRANCH 28 34 ATOM 31 C LIG 1 4.723 -2.281 -1.944 0.00 0.00 -0.048 A ATOM 32 C LIG 1 3.959 -2.507 -0.790 0.00 0.00 +0.005 A ATOM 33 C LIG 1 4.184 -1.760 0.367 0.00 0.00 +0.029 A ATOM 34 C LIG 1 5.170 -0.771 0.364 0.00 0.00 +0.109 A ATOM 35 C LIG 1 5.945 -0.538 -0.774 0.00 0.00 +0.029 A ATOM 36 C LIG 1 5.715 -1.289 -1.928 0.00 0.00 +0.005 A BRANCH 31 38 ATOM 37 C LIG 1 3.392 -2.437 -4.064 0.00 0.00 +0.009 C ATOM 38 C LIG 1 4.464 -3.079 -3.197 0.00 0.00 +0.032 C ENDBRANCH 31 38 ENDBRANCH 28 34 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9