REMARK Name = BDB024421 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.087 -0.083 0.231 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.124 -1.516 -0.278 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.317 -1.775 -1.645 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.318 -3.086 -2.125 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.129 -4.151 -1.247 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.939 -3.910 0.112 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.936 -2.601 0.595 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 1.393 -0.220 0.026 0.00 0.00 -0.269 N ATOM 9 H LIG 1 1.217 -1.012 -0.579 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.339 0.418 0.637 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.450 1.377 1.408 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 5.514 0.317 0.261 0.00 0.00 +0.003 A ATOM 13 C LIG 1 4.870 -0.646 -0.507 0.00 0.00 +0.121 A ATOM 14 N LIG 1 3.523 -0.806 -0.575 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 2.759 0.026 0.162 0.00 0.00 +0.125 A ATOM 16 C LIG 1 3.305 1.017 0.963 0.00 0.00 +0.044 A ATOM 17 C LIG 1 4.696 1.160 1.011 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 10.327 0.102 -0.952 0.00 0.00 +0.172 C ATOM 19 N LIG 1 9.085 0.341 -0.260 0.00 0.00 -0.274 N ATOM 20 N LIG 1 9.102 0.946 0.940 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 7.811 1.009 1.277 0.00 0.00 +0.143 A ATOM 22 C LIG 1 6.959 0.443 0.299 0.00 0.00 +0.021 A ATOM 23 C LIG 1 7.828 0.021 -0.688 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -1.984 0.107 1.396 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -1.700 0.972 1.867 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.408 0.155 1.057 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -3.851 1.479 0.416 0.00 0.00 +0.052 C BRANCH 27 28 ATOM 28 C LIG 1 -5.337 1.509 0.176 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -6.203 2.080 1.100 0.00 0.00 +0.115 A ATOM 30 N LIG 1 -7.546 2.126 0.952 0.00 0.00 -0.251 NA ATOM 31 C LIG 1 -8.083 1.566 -0.170 0.00 0.00 +0.144 A ATOM 32 C LIG 1 -7.282 0.971 -1.146 0.00 0.00 +0.032 A ATOM 33 C LIG 1 -5.900 0.941 -0.967 0.00 0.00 +0.007 A BRANCH 31 34 ATOM 34 C LIG 1 -9.590 1.610 -0.385 0.00 0.00 +0.434 C ATOM 35 F LIG 1 -9.952 2.505 -1.351 0.00 0.00 -0.164 F ATOM 36 F LIG 1 -10.311 1.943 0.722 0.00 0.00 -0.164 F ATOM 37 F LIG 1 -10.093 0.408 -0.802 0.00 0.00 -0.164 F ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9