REMARK Name = BDB052767 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.435 -0.865 1.131 0.00 0.00 +0.033 C ATOM 2 C LIG 1 0.185 -0.656 -0.271 0.00 0.00 +0.096 C ATOM 3 C LIG 1 0.877 -1.861 -0.913 0.00 0.00 +0.094 C ATOM 4 N LIG 1 1.445 -2.829 0.026 0.00 0.00 -0.315 NA ATOM 5 H LIG 1 1.805 -3.628 -0.499 0.00 0.00 +0.122 HD ATOM 6 C LIG 1 0.427 -3.293 0.958 0.00 0.00 +0.081 C ATOM 7 C LIG 1 -0.016 -2.155 1.864 0.00 0.00 +0.024 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 -4.752 -0.298 0.907 0.00 0.00 +0.121 A ATOM 9 C LIG 1 -3.891 0.781 1.124 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -2.510 0.585 1.202 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -1.957 -0.700 1.064 0.00 0.00 -0.043 A ATOM 12 C LIG 1 -2.829 -1.773 0.815 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -4.214 -1.576 0.747 0.00 0.00 +0.046 A BRANCH 8 14 ATOM 14 O LIG 1 -6.078 0.027 0.859 0.00 0.00 -0.489 OA BRANCH 14 15 ATOM 15 C LIG 1 -7.010 -1.053 0.815 0.00 0.00 +0.270 C BRANCH 15 16 ATOM 16 C LIG 1 -8.426 -0.481 0.866 0.00 0.00 +0.270 C BRANCH 16 17 ATOM 17 O LIG 1 -8.737 0.090 -0.417 0.00 0.00 -0.486 OA BRANCH 17 23 ATOM 18 C LIG 1 -14.226 1.521 -0.863 0.00 0.00 +0.044 C ATOM 19 C LIG 1 -12.777 1.145 -0.759 0.00 0.00 -0.047 A ATOM 20 C LIG 1 -12.343 -0.135 -1.124 0.00 0.00 +0.027 A ATOM 21 C LIG 1 -10.994 -0.486 -1.005 0.00 0.00 +0.084 A ATOM 22 CL LIG 1 -10.518 -2.069 -1.511 0.00 0.00 -0.080 Cl ATOM 23 C LIG 1 -10.065 0.428 -0.494 0.00 0.00 +0.157 A ATOM 24 C LIG 1 -10.495 1.713 -0.141 0.00 0.00 +0.084 A ATOM 25 CL LIG 1 -9.392 2.910 0.441 0.00 0.00 -0.080 Cl ATOM 26 C LIG 1 -11.844 2.063 -0.260 0.00 0.00 +0.027 A ENDBRANCH 17 23 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 1 11 BRANCH 2 27 ATOM 27 C LIG 1 0.921 0.686 -0.410 0.00 0.00 +0.221 C ATOM 28 N LIG 1 2.283 0.813 -0.162 0.00 0.00 -0.294 N ATOM 29 O LIG 1 0.251 1.677 -0.740 0.00 0.00 -0.275 OA BRANCH 28 30 ATOM 30 C LIG 1 3.103 -0.152 0.526 0.00 0.00 +0.077 C ATOM 31 C LIG 1 4.175 0.260 1.515 0.00 0.00 +0.024 C ATOM 32 C LIG 1 2.948 -0.434 1.996 0.00 0.00 +0.024 C ENDBRANCH 28 30 BRANCH 28 33 ATOM 33 C LIG 1 2.955 2.008 -0.701 0.00 0.00 +0.144 C BRANCH 33 34 ATOM 34 C LIG 1 4.059 1.672 -1.687 0.00 0.00 -0.012 A ATOM 35 C LIG 1 3.803 1.235 -2.995 0.00 0.00 +0.046 A ATOM 36 CL LIG 1 2.202 1.073 -3.617 0.00 0.00 -0.083 Cl ATOM 37 C LIG 1 4.858 0.909 -3.855 0.00 0.00 +0.020 A ATOM 38 C LIG 1 6.180 1.007 -3.424 0.00 0.00 +0.005 A ATOM 39 C LIG 1 6.461 1.444 -2.127 0.00 0.00 -0.045 A ATOM 40 C LIG 1 5.400 1.778 -1.272 0.00 0.00 +0.010 A BRANCH 39 41 ATOM 41 C LIG 1 7.883 1.512 -1.629 0.00 0.00 +0.054 C BRANCH 41 42 ATOM 42 C LIG 1 8.327 0.176 -1.028 0.00 0.00 +0.109 C BRANCH 42 43 ATOM 43 N LIG 1 9.693 0.218 -0.541 0.00 0.00 -0.315 N ATOM 44 H LIG 1 10.433 -0.075 -1.164 0.00 0.00 +0.149 HD ATOM 45 C LIG 1 9.997 0.724 0.709 0.00 0.00 +0.222 C ATOM 46 O LIG 1 9.147 1.177 1.463 0.00 0.00 -0.276 OA BRANCH 45 47 ATOM 47 C LIG 1 11.464 0.671 1.019 0.00 0.00 +0.208 C BRANCH 47 48 ATOM 48 C LIG 1 11.726 1.053 2.450 0.00 0.00 +0.398 C ATOM 49 F LIG 1 13.059 0.951 2.694 0.00 0.00 -0.170 F ATOM 50 F LIG 1 11.110 0.230 3.326 0.00 0.00 -0.170 F ATOM 51 F LIG 1 11.381 2.328 2.722 0.00 0.00 -0.170 F ENDBRANCH 47 48 ENDBRANCH 45 47 ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 39 41 ENDBRANCH 33 34 ENDBRANCH 28 33 ENDBRANCH 2 27 TORSDOF 15