REMARK Name = BDB010777 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.167 -1.367 0.815 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.118 -0.913 1.114 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.696 -1.229 2.332 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.939 -0.694 2.461 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 -2.192 -0.101 1.312 0.00 0.00 +0.140 A ATOM 6 N LIG 1 -0.112 -1.974 3.283 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 1.105 -2.401 2.900 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -1.090 -0.169 0.470 0.00 0.00 -0.315 N ATOM 9 N LIG 1 1.750 -2.144 1.746 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.388 0.562 0.936 0.00 0.00 -0.001 C ATOM 11 C LIG 1 -3.904 1.849 1.518 0.00 0.00 +0.039 C ATOM 12 C LIG 1 -4.994 2.257 0.535 0.00 0.00 +0.009 C ATOM 13 C LIG 1 -5.463 0.959 -0.114 0.00 0.00 +0.036 C ATOM 14 C LIG 1 -4.276 0.052 0.055 0.00 0.00 -0.034 C BRANCH 14 15 ATOM 15 C LIG 1 -4.203 -1.210 -0.695 0.00 0.00 -0.021 A ATOM 16 C LIG 1 -3.951 -2.423 -0.038 0.00 0.00 +0.008 A ATOM 17 C LIG 1 -3.869 -3.619 -0.755 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -4.046 -3.618 -2.136 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -4.310 -2.423 -2.800 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -4.391 -1.226 -2.083 0.00 0.00 +0.008 A ENDBRANCH 14 15 ENDBRANCH 5 10 BRANCH 1 21 ATOM 21 N LIG 1 1.824 -1.057 -0.365 0.00 0.00 -0.324 N ATOM 22 H LIG 1 1.628 -0.105 -0.650 0.00 0.00 +0.148 HD BRANCH 21 24 ATOM 23 C LIG 1 3.474 -2.892 -0.669 0.00 0.00 +0.028 C ATOM 24 C LIG 1 3.244 -1.384 -0.572 0.00 0.00 +0.072 C BRANCH 24 25 ATOM 25 C LIG 1 4.187 -0.735 0.453 0.00 0.00 +0.009 C ATOM 26 C LIG 1 4.144 0.817 0.573 0.00 0.00 +0.005 C ATOM 27 C LIG 1 5.320 0.876 -0.418 0.00 0.00 +0.001 C ATOM 28 C LIG 1 5.667 -0.564 0.004 0.00 0.00 +0.005 C ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 1 21 BRANCH 7 29 ATOM 29 C LIG 1 1.811 -3.258 3.916 0.00 0.00 +0.375 C ATOM 30 O LIG 1 2.923 -3.745 3.799 0.00 0.00 -0.242 OA BRANCH 29 31 ATOM 31 O LIG 1 1.038 -3.431 5.027 0.00 0.00 -0.475 OA ATOM 32 H LIG 1 0.182 -2.953 4.918 0.00 0.00 +0.296 HD ENDBRANCH 29 31 ENDBRANCH 7 29 BRANCH 8 33 ATOM 33 C LIG 1 -0.993 0.386 -0.876 0.00 0.00 +0.159 C BRANCH 33 34 ATOM 34 C LIG 1 -0.104 1.608 -0.972 0.00 0.00 -0.028 A ATOM 35 C LIG 1 0.609 1.831 -2.162 0.00 0.00 +0.006 A ATOM 36 C LIG 1 1.441 2.945 -2.300 0.00 0.00 +0.013 A ATOM 37 C LIG 1 1.562 3.877 -1.261 0.00 0.00 +0.055 A ATOM 38 C LIG 1 0.835 3.668 -0.081 0.00 0.00 +0.013 A ATOM 39 C LIG 1 0.003 2.554 0.058 0.00 0.00 +0.006 A BRANCH 37 40 ATOM 40 C LIG 1 2.485 5.064 -1.400 0.00 0.00 +0.417 C ATOM 41 F LIG 1 2.115 6.125 -0.631 0.00 0.00 -0.166 F ATOM 42 F LIG 1 2.555 5.536 -2.676 0.00 0.00 -0.166 F ATOM 43 F LIG 1 3.763 4.765 -1.039 0.00 0.00 -0.166 F ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 10