REMARK Name = BDB001364 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.973 -0.504 -0.200 0.00 0.00 +0.142 C ATOM 2 N LIG 1 -1.105 0.730 -0.989 0.00 0.00 -0.267 N ATOM 3 C LIG 1 -1.189 0.492 -2.349 0.00 0.00 +0.249 C ATOM 4 O LIG 1 -1.242 1.295 -3.262 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 -1.252 -0.956 -2.532 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -1.426 -1.668 -3.706 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -1.534 -3.055 -3.608 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -1.481 -3.686 -2.353 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -1.307 -2.941 -1.181 0.00 0.00 +0.008 A ATOM 10 C LIG 1 -1.174 -1.560 -1.280 0.00 0.00 +0.007 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 -2.034 -0.587 0.912 0.00 0.00 -0.005 A ATOM 12 C LIG 1 -1.720 -0.577 2.285 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -2.720 -0.650 3.261 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -4.058 -0.725 2.890 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -4.400 -0.723 1.543 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -3.402 -0.654 0.568 0.00 0.00 +0.007 A ENDBRANCH 1 11 BRANCH 1 17 ATOM 17 N LIG 1 0.422 -0.460 0.251 0.00 0.00 -0.285 NA ATOM 18 H LIG 1 0.519 0.268 0.948 0.00 0.00 +0.125 HD BRANCH 17 19 ATOM 19 C LIG 1 1.029 -1.713 0.701 0.00 0.00 +0.119 C BRANCH 19 20 ATOM 20 C LIG 1 2.377 -1.514 1.447 0.00 0.00 +0.158 C BRANCH 20 24 ATOM 21 C LIG 1 5.723 0.353 -0.602 0.00 0.00 +0.120 A ATOM 22 C LIG 1 4.649 -0.147 -1.339 0.00 0.00 +0.046 A ATOM 23 C LIG 1 3.558 -0.747 -0.702 0.00 0.00 +0.010 A ATOM 24 C LIG 1 3.516 -0.852 0.693 0.00 0.00 -0.018 A ATOM 25 C LIG 1 4.607 -0.353 1.426 0.00 0.00 +0.010 A ATOM 26 C LIG 1 5.699 0.246 0.787 0.00 0.00 +0.046 A BRANCH 21 28 ATOM 27 C LIG 1 7.824 1.465 -0.643 0.00 0.00 +0.277 C ATOM 28 O LIG 1 6.722 0.911 -1.350 0.00 0.00 -0.495 OA ENDBRANCH 21 28 ENDBRANCH 20 24 BRANCH 20 29 ATOM 29 O LIG 1 2.813 -2.799 1.910 0.00 0.00 -0.386 OA ATOM 30 H LIG 1 3.637 -3.016 1.439 0.00 0.00 +0.210 HD ENDBRANCH 20 29 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 BRANCH 2 31 ATOM 31 C LIG 1 -1.088 2.079 -0.443 0.00 0.00 +0.145 C BRANCH 31 32 ATOM 32 C LIG 1 -2.459 2.617 -0.105 0.00 0.00 -0.030 A ATOM 33 C LIG 1 -3.386 2.902 -1.119 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -4.653 3.397 -0.806 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.008 3.616 0.523 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.095 3.345 1.539 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -2.826 2.852 1.228 0.00 0.00 +0.005 A ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 9