REMARK Name = BDB004724 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.707 -1.023 1.942 0.00 0.00 +0.116 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.824 -1.091 1.904 0.00 0.00 -0.024 A ATOM 3 C LIG 1 -1.582 -0.372 0.958 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -2.985 -0.425 0.936 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -3.643 -1.198 1.890 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -2.916 -1.890 2.859 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -1.523 -1.828 2.874 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 -3.638 0.332 -0.061 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -3.024 0.871 -0.663 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -4.997 0.425 -0.302 0.00 0.00 +0.251 C ATOM 11 O LIG 1 -5.875 -0.172 0.314 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 -5.418 1.335 -1.414 0.00 0.00 +0.072 A ATOM 13 C LIG 1 -4.516 2.037 -2.217 0.00 0.00 +0.135 A ATOM 14 F LIG 1 -3.191 1.923 -2.032 0.00 0.00 -0.205 F ATOM 15 C LIG 1 -4.959 2.878 -3.239 0.00 0.00 +0.039 A ATOM 16 C LIG 1 -6.325 3.026 -3.473 0.00 0.00 +0.003 A ATOM 17 C LIG 1 -7.242 2.333 -2.686 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -6.792 1.493 -1.662 0.00 0.00 +0.016 A ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 N LIG 1 1.228 -0.351 0.731 0.00 0.00 -0.320 N ATOM 20 H LIG 1 1.373 -1.093 0.038 0.00 0.00 +0.148 HD BRANCH 19 21 ATOM 21 C LIG 1 2.458 0.332 0.864 0.00 0.00 +0.130 A ATOM 22 C LIG 1 3.061 0.886 -0.286 0.00 0.00 +0.041 A ATOM 23 C LIG 1 4.291 1.547 -0.099 0.00 0.00 +0.088 A ATOM 24 C LIG 1 4.919 2.090 -1.240 0.00 0.00 +0.063 A ATOM 25 C LIG 1 4.334 1.988 -2.518 0.00 0.00 +0.015 A ATOM 26 C LIG 1 3.115 1.352 -2.688 0.00 0.00 +0.002 A ATOM 27 N LIG 1 4.831 1.645 1.137 0.00 0.00 -0.235 NA ATOM 28 C LIG 1 4.157 1.108 2.160 0.00 0.00 +0.223 A ATOM 29 C LIG 1 2.484 0.806 -1.579 0.00 0.00 +0.013 A ATOM 30 N LIG 1 2.999 0.456 2.085 0.00 0.00 -0.220 NA BRANCH 24 31 ATOM 31 C LIG 1 6.234 2.805 -1.192 0.00 0.00 +0.244 C ATOM 32 O LIG 1 6.771 3.232 -2.208 0.00 0.00 -0.270 OA ATOM 33 N LIG 1 6.837 2.977 0.018 0.00 0.00 -0.325 N ATOM 34 H LIG 1 6.415 2.609 0.867 0.00 0.00 +0.145 HD ATOM 35 H LIG 1 7.737 3.433 0.058 0.00 0.00 +0.145 HD ENDBRANCH 24 31 ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 1 36 ATOM 36 C LIG 1 1.409 -2.428 2.047 0.00 0.00 +0.110 C BRANCH 36 38 ATOM 37 C LIG 1 0.342 -3.730 0.267 0.00 0.00 +0.104 C ATOM 38 N LIG 1 1.597 -3.140 0.745 0.00 0.00 -0.306 NA ATOM 39 C LIG 1 2.598 -4.200 0.908 0.00 0.00 +0.104 C ENDBRANCH 36 38 ENDBRANCH 1 36 TORSDOF 8