REMARK Name = BDB030296 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.467 0.306 0.520 0.00 0.00 +0.039 A ATOM 2 C LIG 1 0.402 1.217 -0.093 0.00 0.00 +0.039 A ATOM 3 C LIG 1 1.732 0.862 -0.317 0.00 0.00 +0.051 A ATOM 4 N LIG 1 2.593 1.788 -0.943 0.00 0.00 -0.322 N ATOM 5 H LIG 1 2.244 2.698 -1.218 0.00 0.00 +0.169 HD ATOM 6 C LIG 1 3.928 1.561 -1.220 0.00 0.00 +0.257 A ATOM 7 C LIG 1 4.448 0.257 -0.825 0.00 0.00 +0.054 A ATOM 8 C LIG 1 3.626 -0.670 -0.209 0.00 0.00 +0.034 A ATOM 9 S LIG 1 4.449 -2.114 0.158 0.00 0.00 -0.096 S ATOM 10 C LIG 1 5.914 -1.520 -0.498 0.00 0.00 +0.046 A ATOM 11 C LIG 1 5.777 -0.241 -0.990 0.00 0.00 +0.021 A ATOM 12 O LIG 1 4.617 2.416 -1.769 0.00 0.00 -0.267 OA ATOM 13 C LIG 1 2.216 -0.404 0.076 0.00 0.00 +0.013 A ATOM 14 C LIG 1 1.346 -1.302 0.704 0.00 0.00 +0.012 A ATOM 15 C LIG 1 0.011 -0.947 0.929 0.00 0.00 +0.014 A ENDROOT BRANCH 1 18 ATOM 16 N LIG 1 -2.820 -0.282 0.784 0.00 0.00 -0.311 N ATOM 17 H LIG 1 -2.562 -1.214 0.490 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 -1.878 0.725 0.743 0.00 0.00 +0.244 C ATOM 19 O LIG 1 -2.151 1.916 0.845 0.00 0.00 -0.270 OA BRANCH 16 20 ATOM 20 C LIG 1 -4.234 0.013 0.901 0.00 0.00 +0.104 C BRANCH 20 22 ATOM 21 C LIG 1 -4.863 -0.743 -1.439 0.00 0.00 +0.005 C ATOM 22 C LIG 1 -4.869 0.400 -0.433 0.00 0.00 +0.015 C ENDBRANCH 20 22 ENDBRANCH 16 20 ENDBRANCH 1 18 TORSDOF 3