REMARK Name = BDB033384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.826 0.969 -0.665 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -2.629 0.152 -0.255 0.00 0.00 -0.040 A ATOM 3 C LIG 1 -1.597 0.649 0.589 0.00 0.00 +0.022 A ATOM 4 C LIG 1 -0.520 -0.189 0.912 0.00 0.00 +0.071 A ATOM 5 N LIG 1 0.342 0.545 1.701 0.00 0.00 -0.358 N ATOM 6 H LIG 1 1.250 0.219 2.009 0.00 0.00 +0.165 HD ATOM 7 C LIG 1 -0.156 1.800 1.917 0.00 0.00 +0.102 A ATOM 8 C LIG 1 -0.429 -1.510 0.454 0.00 0.00 +0.072 A ATOM 9 C LIG 1 -1.432 -1.976 -0.393 0.00 0.00 +0.027 A ATOM 10 C LIG 1 -1.354 1.897 1.245 0.00 0.00 +0.077 A ATOM 11 C LIG 1 -2.510 -1.166 -0.739 0.00 0.00 +0.006 A ENDROOT BRANCH 8 12 ATOM 12 N LIG 1 0.660 -2.367 0.790 0.00 0.00 -0.212 N ATOM 13 H LIG 1 1.064 -2.227 1.715 0.00 0.00 +0.174 HD BRANCH 12 14 ATOM 14 S LIG 1 1.896 -2.540 -0.370 0.00 0.00 +0.096 S ATOM 15 O LIG 1 1.315 -2.693 -1.687 0.00 0.00 -0.148 OA ATOM 16 O LIG 1 2.825 -3.510 0.173 0.00 0.00 -0.148 OA BRANCH 14 17 ATOM 17 C LIG 1 2.824 -1.014 -0.383 0.00 0.00 +0.237 A ATOM 18 S LIG 1 3.729 -0.642 -1.786 0.00 0.00 -0.035 S ATOM 19 C LIG 1 4.268 0.768 -1.016 0.00 0.00 +0.099 A ATOM 20 CL LIG 1 5.329 1.850 -1.810 0.00 0.00 -0.074 Cl ATOM 21 C LIG 1 3.751 0.874 0.252 0.00 0.00 +0.140 A ATOM 22 N LIG 1 2.911 -0.163 0.632 0.00 0.00 -0.227 NA ENDBRANCH 14 17 ENDBRANCH 12 14 ENDBRANCH 8 12 BRANCH 10 23 ATOM 23 C LIG 1 -2.169 3.072 1.225 0.00 0.00 +0.101 C ATOM 24 N LIG 1 -2.826 4.029 1.211 0.00 0.00 -0.191 NA ENDBRANCH 10 23 TORSDOF 4