REMARK Name = BDB020484 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.958 -2.047 1.206 0.00 0.00 +0.041 C ATOM 2 C LIG 1 3.143 -1.422 0.076 0.00 0.00 +0.171 C ATOM 3 N LIG 1 2.230 -0.407 0.573 0.00 0.00 -0.317 N ATOM 4 C LIG 1 0.967 -0.747 0.998 0.00 0.00 +0.064 A ATOM 5 C LIG 1 0.402 0.437 1.408 0.00 0.00 +0.094 A ATOM 6 N LIG 1 1.277 1.472 1.224 0.00 0.00 -0.232 NA ATOM 7 C LIG 1 0.508 -2.147 0.940 0.00 0.00 +0.163 C ATOM 8 N LIG 1 1.056 -2.752 -0.268 0.00 0.00 -0.297 N ATOM 9 C LIG 1 0.345 -3.896 -0.812 0.00 0.00 +0.132 C ATOM 10 C LIG 1 2.365 0.954 0.681 0.00 0.00 +0.117 A ATOM 11 C LIG 1 2.376 -2.529 -0.656 0.00 0.00 +0.238 C ATOM 12 O LIG 1 2.940 -3.201 -1.521 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 13 ATOM 13 C LIG 1 -0.924 0.602 1.964 0.00 0.00 +0.011 A ATOM 14 C LIG 1 -2.096 0.504 1.165 0.00 0.00 +0.010 A ATOM 15 C LIG 1 -3.355 0.616 1.780 0.00 0.00 +0.072 A ATOM 16 N LIG 1 -4.506 0.501 1.100 0.00 0.00 -0.246 NA ATOM 17 C LIG 1 -4.482 0.284 -0.243 0.00 0.00 +0.083 A ATOM 18 C LIG 1 -3.297 0.212 -0.964 0.00 0.00 +0.044 A ATOM 19 C LIG 1 -3.420 0.850 3.147 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -2.272 0.980 3.930 0.00 0.00 +0.003 A ATOM 21 C LIG 1 -2.101 0.310 -0.234 0.00 0.00 +0.022 A ATOM 22 C LIG 1 -1.023 0.857 3.337 0.00 0.00 +0.011 A BRANCH 17 23 ATOM 23 C LIG 1 -5.805 0.126 -0.825 0.00 0.00 +0.038 A ATOM 24 C LIG 1 -6.908 0.862 -0.439 0.00 0.00 +0.118 A ATOM 25 N LIG 1 -7.957 0.403 -1.177 0.00 0.00 -0.274 N ATOM 26 C LIG 1 -9.321 0.869 -1.131 0.00 0.00 +0.172 C ATOM 27 N LIG 1 -7.627 -0.599 -2.010 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 -6.320 -0.771 -1.788 0.00 0.00 +0.144 A ENDBRANCH 17 23 BRANCH 18 29 ATOM 29 C LIG 1 -3.235 0.028 -2.448 0.00 0.00 +0.374 C ATOM 30 F LIG 1 -4.140 0.773 -3.139 0.00 0.00 -0.204 F ATOM 31 F LIG 1 -3.438 -1.267 -2.819 0.00 0.00 -0.204 F ENDBRANCH 18 29 ENDBRANCH 5 13 BRANCH 10 32 ATOM 32 C LIG 1 3.525 1.904 0.235 0.00 0.00 +0.083 C ATOM 33 C LIG 1 3.857 1.915 -1.270 0.00 0.00 +0.097 C ATOM 34 N LIG 1 5.287 2.093 -0.897 0.00 0.00 -0.299 NA ATOM 35 C LIG 1 4.989 1.475 0.425 0.00 0.00 +0.097 C BRANCH 34 36 ATOM 36 C LIG 1 6.143 1.222 -1.721 0.00 0.00 +0.112 C BRANCH 36 37 ATOM 37 C LIG 1 7.612 1.370 -1.301 0.00 0.00 +0.171 C BRANCH 37 38 ATOM 38 O LIG 1 8.004 2.740 -1.352 0.00 0.00 -0.394 OA ATOM 39 H LIG 1 7.229 3.240 -1.024 0.00 0.00 +0.209 HD ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 10 32 TORSDOF 7