REMARK Name = BDB033511 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.962 1.163 0.211 0.00 0.00 +0.077 A ATOM 2 C LIG 1 -1.951 0.719 -0.690 0.00 0.00 +0.019 A ATOM 3 C LIG 1 -1.204 -0.260 -0.024 0.00 0.00 +0.070 A ATOM 4 C LIG 1 -0.120 -0.913 -0.629 0.00 0.00 +0.072 A ATOM 5 C LIG 1 0.193 -0.574 -1.950 0.00 0.00 +0.026 A ATOM 6 C LIG 1 -0.526 0.405 -2.631 0.00 0.00 +0.003 A ATOM 7 N LIG 1 -1.746 -0.382 1.240 0.00 0.00 -0.358 N ATOM 8 H LIG 1 -1.349 -0.963 1.973 0.00 0.00 +0.165 HD ATOM 9 C LIG 1 -1.598 1.057 -2.014 0.00 0.00 +0.011 A ATOM 10 C LIG 1 -2.808 0.470 1.391 0.00 0.00 +0.102 A ENDROOT BRANCH 1 12 ATOM 11 N LIG 1 -4.770 2.962 -0.238 0.00 0.00 -0.191 NA ATOM 12 C LIG 1 -3.961 2.155 -0.034 0.00 0.00 +0.101 C ENDBRANCH 1 12 BRANCH 4 13 ATOM 13 N LIG 1 0.616 -1.983 -0.036 0.00 0.00 -0.214 N ATOM 14 H LIG 1 0.066 -2.834 0.084 0.00 0.00 +0.174 HD BRANCH 13 15 ATOM 15 S LIG 1 1.500 -1.668 1.365 0.00 0.00 +0.074 S ATOM 16 O LIG 1 0.582 -1.226 2.396 0.00 0.00 -0.150 OA ATOM 17 O LIG 1 2.372 -2.800 1.582 0.00 0.00 -0.150 OA BRANCH 15 18 ATOM 18 C LIG 1 2.547 -0.343 1.082 0.00 0.00 +0.135 A ATOM 19 C LIG 1 2.259 0.978 1.350 0.00 0.00 +0.095 A ATOM 20 S LIG 1 3.594 1.925 0.853 0.00 0.00 +0.005 S ATOM 21 N LIG 1 4.514 0.655 0.304 0.00 0.00 -0.217 NA ATOM 22 C LIG 1 3.831 -0.472 0.495 0.00 0.00 +0.149 A ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 4 13 TORSDOF 4