REMARK Name = BDB030940 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.421 -1.751 0.435 0.00 0.00 +0.090 A ATOM 2 C LIG 1 0.965 -3.015 0.445 0.00 0.00 +0.099 A ATOM 3 C LIG 1 2.300 -3.062 0.118 0.00 0.00 +0.129 A ATOM 4 N LIG 1 3.035 -1.982 -0.206 0.00 0.00 -0.222 NA ATOM 5 C LIG 1 2.412 -0.800 -0.219 0.00 0.00 +0.216 A ATOM 6 N LIG 1 1.126 -0.646 0.100 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -4.293 0.377 -1.054 0.00 0.00 +0.052 A ATOM 8 C LIG 1 -4.359 -0.214 0.233 0.00 0.00 +0.057 A ATOM 9 C LIG 1 -3.151 -0.777 0.728 0.00 0.00 +0.059 A ATOM 10 C LIG 1 -1.967 -0.822 -0.019 0.00 0.00 +0.010 A ATOM 11 C LIG 1 -0.968 -1.478 0.766 0.00 0.00 +0.026 A ATOM 12 C LIG 1 -1.541 -1.772 1.982 0.00 0.00 +0.093 A ATOM 13 C LIG 1 -1.959 -0.280 -1.315 0.00 0.00 +0.012 A ATOM 14 N LIG 1 -2.848 -1.365 1.940 0.00 0.00 -0.359 N ATOM 15 H LIG 1 -3.480 -1.463 2.720 0.00 0.00 +0.165 HD ATOM 16 C LIG 1 -3.117 0.313 -1.815 0.00 0.00 +0.025 A BRANCH 7 18 ATOM 17 C LIG 1 -5.962 2.207 -1.068 0.00 0.00 +0.407 C ATOM 18 N LIG 1 -5.405 1.053 -1.629 0.00 0.00 -0.240 N ATOM 19 C LIG 1 -5.769 0.754 -3.002 0.00 0.00 +0.142 C ATOM 20 O LIG 1 -6.826 2.882 -1.623 0.00 0.00 -0.226 OA BRANCH 17 22 ATOM 21 C LIG 1 -5.938 3.756 0.686 0.00 0.00 +0.282 C ATOM 22 O LIG 1 -5.394 2.563 0.124 0.00 0.00 -0.453 OA ENDBRANCH 17 22 ENDBRANCH 7 18 BRANCH 8 23 ATOM 23 P LIG 1 -5.865 -0.375 1.152 0.00 0.00 +0.114 P ATOM 24 O LIG 1 -7.152 0.077 0.506 0.00 0.00 -0.317 OA ATOM 25 C LIG 1 -5.709 0.427 2.755 0.00 0.00 +0.086 C ATOM 26 C LIG 1 -6.099 -2.110 1.603 0.00 0.00 +0.086 C ENDBRANCH 8 23 ENDBRANCH 1 11 BRANCH 2 27 ATOM 27 C LIG 1 0.215 -4.252 0.774 0.00 0.00 +0.421 C ATOM 28 F LIG 1 -0.050 -4.373 2.105 0.00 0.00 -0.166 F ATOM 29 F LIG 1 -0.981 -4.362 0.135 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.899 -5.387 0.446 0.00 0.00 -0.166 F ENDBRANCH 2 27 BRANCH 5 31 ATOM 31 N LIG 1 3.081 0.360 -0.573 0.00 0.00 -0.309 N ATOM 32 H LIG 1 2.500 1.120 -0.232 0.00 0.00 +0.149 HD BRANCH 31 33 ATOM 33 C LIG 1 4.495 0.424 -0.207 0.00 0.00 +0.087 C ATOM 34 C LIG 1 4.918 1.900 -0.021 0.00 0.00 +0.103 C ATOM 35 N LIG 1 6.325 2.081 0.348 0.00 0.00 -0.309 NA ATOM 36 H LIG 1 6.444 1.918 1.347 0.00 0.00 +0.123 HD ATOM 37 C LIG 1 7.266 1.242 -0.420 0.00 0.00 +0.014 C ATOM 38 C LIG 1 7.879 0.178 0.510 0.00 0.00 +0.027 C ATOM 39 C LIG 1 8.393 2.170 -0.903 0.00 0.00 +0.027 C ATOM 40 C LIG 1 6.606 0.574 -1.645 0.00 0.00 +0.023 C ATOM 41 C LIG 1 5.363 -0.245 -1.287 0.00 0.00 +0.025 C ENDBRANCH 31 33 ENDBRANCH 5 31 TORSDOF 7