REMARK Name = BDB033512 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.194 -0.051 2.627 0.00 0.00 +0.077 A ATOM 2 C LIG 1 -1.483 -0.575 1.334 0.00 0.00 +0.019 A ATOM 3 C LIG 1 -0.258 -0.754 0.684 0.00 0.00 +0.070 A ATOM 4 C LIG 1 -0.164 -1.268 -0.614 0.00 0.00 +0.072 A ATOM 5 C LIG 1 -1.351 -1.588 -1.280 0.00 0.00 +0.026 A ATOM 6 C LIG 1 -2.586 -1.417 -0.659 0.00 0.00 +0.003 A ATOM 7 N LIG 1 0.728 -0.360 1.563 0.00 0.00 -0.358 N ATOM 8 H LIG 1 1.717 -0.362 1.338 0.00 0.00 +0.165 HD ATOM 9 C LIG 1 -2.667 -0.915 0.645 0.00 0.00 +0.011 A ATOM 10 C LIG 1 0.174 0.075 2.737 0.00 0.00 +0.102 A ENDROOT BRANCH 1 12 ATOM 11 N LIG 1 -2.901 0.574 4.473 0.00 0.00 -0.191 NA ATOM 12 C LIG 1 -2.135 0.294 3.647 0.00 0.00 +0.101 C ENDBRANCH 1 12 BRANCH 4 13 ATOM 13 N LIG 1 1.101 -1.405 -1.264 0.00 0.00 -0.213 N ATOM 14 H LIG 1 1.168 -2.253 -1.831 0.00 0.00 +0.174 HD BRANCH 13 15 ATOM 15 S LIG 1 1.571 -0.103 -2.261 0.00 0.00 +0.092 S ATOM 16 O LIG 1 0.433 0.330 -3.045 0.00 0.00 -0.148 OA ATOM 17 O LIG 1 2.805 -0.502 -2.905 0.00 0.00 -0.148 OA BRANCH 15 18 ATOM 18 C LIG 1 2.016 1.274 -1.303 0.00 0.00 +0.225 A ATOM 19 N LIG 1 2.657 1.167 -0.126 0.00 0.00 -0.170 NA ATOM 20 S LIG 1 2.887 2.757 0.362 0.00 0.00 +0.117 S ATOM 21 N LIG 1 2.158 3.569 -0.908 0.00 0.00 -0.197 NA ATOM 22 C LIG 1 1.744 2.604 -1.734 0.00 0.00 +0.171 A ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 4 13 TORSDOF 4