REMARK Name = BDB047583 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.071 0.100 0.126 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -3.147 -0.660 -0.346 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -4.279 -0.859 0.456 0.00 0.00 -0.041 A ATOM 4 C LIG 1 -4.300 -0.302 1.744 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -3.234 0.474 2.205 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -2.122 0.688 1.392 0.00 0.00 +0.013 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 3.136 -0.552 0.543 0.00 0.00 +0.078 C ATOM 8 C LIG 1 2.768 0.591 -0.422 0.00 0.00 +0.032 C ATOM 9 C LIG 1 1.489 0.319 -1.206 0.00 0.00 +0.109 C ATOM 10 N LIG 1 0.367 0.033 -0.318 0.00 0.00 -0.297 N ATOM 11 C LIG 1 -0.918 0.326 -0.775 0.00 0.00 +0.247 C ATOM 12 O LIG 1 -1.156 0.764 -1.899 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 0.640 -0.805 0.852 0.00 0.00 +0.109 C ATOM 14 C LIG 1 1.970 -1.539 0.732 0.00 0.00 +0.032 C BRANCH 7 20 ATOM 15 C LIG 1 8.795 1.171 -0.376 0.00 0.00 +0.007 C ATOM 16 C LIG 1 8.325 0.370 0.840 0.00 0.00 -0.011 C ATOM 17 C LIG 1 8.068 -1.101 0.495 0.00 0.00 +0.022 C ATOM 18 C LIG 1 6.805 -1.304 -0.338 0.00 0.00 +0.108 C ATOM 19 N LIG 1 5.634 -0.656 0.257 0.00 0.00 -0.301 N ATOM 20 C LIG 1 4.399 -1.280 0.069 0.00 0.00 +0.219 C ATOM 21 O LIG 1 4.311 -2.386 -0.469 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 5.811 0.750 0.629 0.00 0.00 +0.108 C ATOM 23 C LIG 1 7.065 0.972 1.472 0.00 0.00 +0.022 C ENDBRANCH 7 20 ENDBRANCH 1 11 BRANCH 3 24 ATOM 24 C LIG 1 -5.439 -1.684 -0.055 0.00 0.00 +0.093 C BRANCH 24 25 ATOM 25 C LIG 1 -6.788 -0.993 0.097 0.00 0.00 +0.074 A ATOM 26 C LIG 1 -7.178 0.096 -0.836 0.00 0.00 +0.011 A ATOM 27 C LIG 1 -8.421 0.694 -0.631 0.00 0.00 +0.050 A ATOM 28 C LIG 1 -8.863 1.729 -1.464 0.00 0.00 +0.014 A ATOM 29 C LIG 1 -8.055 2.169 -2.510 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -6.811 1.576 -2.721 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -9.270 0.224 0.475 0.00 0.00 +0.272 A ATOM 32 O LIG 1 -10.370 0.719 0.693 0.00 0.00 -0.266 OA ATOM 33 N LIG 1 -8.759 -0.796 1.239 0.00 0.00 -0.242 N ATOM 34 H LIG 1 -9.333 -1.134 2.005 0.00 0.00 +0.192 HD ATOM 35 C LIG 1 -6.371 0.541 -1.890 0.00 0.00 +0.010 A ATOM 36 N LIG 1 -7.552 -1.397 1.071 0.00 0.00 -0.175 NA ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 4