REMARK Name = BDB060061 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.469 1.374 -0.303 0.00 0.00 +0.078 C ATOM 2 C LIG 1 2.878 2.606 -1.000 0.00 0.00 +0.032 C ATOM 3 C LIG 1 1.413 2.794 -0.622 0.00 0.00 +0.109 C ATOM 4 N LIG 1 0.651 1.549 -0.647 0.00 0.00 -0.297 N ATOM 5 C LIG 1 -0.688 1.617 -0.272 0.00 0.00 +0.249 C ATOM 6 O LIG 1 -1.256 2.673 0.008 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 1.306 0.400 -1.266 0.00 0.00 +0.109 C ATOM 8 C LIG 1 2.635 0.105 -0.575 0.00 0.00 +0.032 C ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -1.503 0.393 -0.219 0.00 0.00 +0.072 A ATOM 10 C LIG 1 -1.166 -0.664 0.622 0.00 0.00 +0.135 A ATOM 11 F LIG 1 -0.057 -0.623 1.372 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -1.977 -1.792 0.689 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -3.150 -1.852 -0.069 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -3.530 -0.775 -0.886 0.00 0.00 -0.041 A ATOM 15 C LIG 1 -2.689 0.346 -0.964 0.00 0.00 +0.020 A BRANCH 14 16 ATOM 16 C LIG 1 -4.806 -0.824 -1.696 0.00 0.00 +0.093 C BRANCH 16 17 ATOM 17 C LIG 1 -6.031 -1.206 -0.874 0.00 0.00 +0.074 A ATOM 18 C LIG 1 -6.675 -0.205 0.016 0.00 0.00 +0.011 A ATOM 19 C LIG 1 -7.784 -0.626 0.747 0.00 0.00 +0.050 A ATOM 20 C LIG 1 -8.446 0.253 1.613 0.00 0.00 +0.014 A ATOM 21 C LIG 1 -7.992 1.564 1.748 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -6.883 1.992 1.020 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -8.257 -2.012 0.602 0.00 0.00 +0.272 A ATOM 24 O LIG 1 -9.229 -2.426 1.223 0.00 0.00 -0.266 OA ATOM 25 N LIG 1 -7.546 -2.806 -0.265 0.00 0.00 -0.242 N ATOM 26 H LIG 1 -7.861 -3.764 -0.380 0.00 0.00 +0.192 HD ATOM 27 C LIG 1 -6.225 1.113 0.154 0.00 0.00 +0.010 A ATOM 28 N LIG 1 -6.459 -2.430 -0.989 0.00 0.00 -0.175 NA ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 5 9 BRANCH 1 31 ATOM 29 N LIG 1 5.554 0.222 0.092 0.00 0.00 -0.284 N ATOM 30 H LIG 1 5.045 -0.167 0.882 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 4.924 1.150 -0.713 0.00 0.00 +0.220 C ATOM 32 O LIG 1 5.426 1.737 -1.666 0.00 0.00 -0.275 OA BRANCH 29 34 ATOM 33 C LIG 1 7.260 -1.182 1.007 0.00 0.00 +0.049 A ATOM 34 C LIG 1 6.886 -0.235 0.025 0.00 0.00 +0.054 A ATOM 35 C LIG 1 7.822 0.201 -0.916 0.00 0.00 +0.028 A ATOM 36 C LIG 1 9.117 -0.319 -0.902 0.00 0.00 +0.040 A ATOM 37 C LIG 1 9.464 -1.278 0.042 0.00 0.00 +0.125 A ATOM 38 F LIG 1 10.701 -1.792 0.034 0.00 0.00 -0.205 F ATOM 39 C LIG 1 8.545 -1.729 0.983 0.00 0.00 +0.063 A BRANCH 33 40 ATOM 40 N LIG 1 6.264 -1.738 1.857 0.00 0.00 -0.356 N ATOM 41 H LIG 1 6.684 -2.143 2.693 0.00 0.00 +0.142 HD ATOM 42 H LIG 1 5.775 -2.481 1.356 0.00 0.00 +0.142 HD ENDBRANCH 33 40 ENDBRANCH 29 34 ENDBRANCH 1 31 TORSDOF 6