REMARK Name = BDB060384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.160 1.046 -0.812 0.00 0.00 -0.250 OA ATOM 2 C LIG 1 0.201 0.121 -0.008 0.00 0.00 +0.334 C ATOM 3 N LIG 1 1.376 -0.494 0.460 0.00 0.00 -0.135 N ATOM 4 N LIG 1 -0.925 -0.459 0.568 0.00 0.00 -0.267 N ATOM 5 H LIG 1 -0.693 -1.292 1.097 0.00 0.00 +0.156 HD ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -2.278 -0.121 0.405 0.00 0.00 +0.036 A ATOM 7 C LIG 1 -2.712 0.991 -0.326 0.00 0.00 +0.042 A ATOM 8 C LIG 1 -4.094 1.230 -0.413 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -5.043 0.409 0.200 0.00 0.00 +0.102 A ATOM 10 N LIG 1 -6.365 0.796 0.011 0.00 0.00 -0.141 NA ATOM 11 N LIG 1 -6.460 1.887 -0.729 0.00 0.00 -0.109 NA ATOM 12 C LIG 1 -4.590 -0.702 0.934 0.00 0.00 +0.032 A ATOM 13 S LIG 1 -4.973 2.476 -1.215 0.00 0.00 +0.037 S ATOM 14 C LIG 1 -3.214 -0.953 1.029 0.00 0.00 +0.025 A ENDBRANCH 4 6 BRANCH 3 15 ATOM 15 C LIG 1 2.715 -0.292 0.027 0.00 0.00 +0.066 A ATOM 16 C LIG 1 3.745 -1.106 0.532 0.00 0.00 +0.026 A ATOM 17 C LIG 1 5.074 -0.928 0.134 0.00 0.00 +0.002 A ATOM 18 C LIG 1 5.399 0.069 -0.779 0.00 0.00 +0.000 A ATOM 19 C LIG 1 4.395 0.882 -1.295 0.00 0.00 +0.002 A ATOM 20 C LIG 1 3.065 0.702 -0.896 0.00 0.00 +0.026 A ENDBRANCH 3 15 BRANCH 3 21 ATOM 21 O LIG 1 1.189 -1.500 1.448 0.00 0.00 -0.287 OA ATOM 22 H LIG 1 1.475 -1.009 2.242 0.00 0.00 +0.242 HD ENDBRANCH 3 21 TORSDOF 3