REMARK Name = BDB026941 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.757 -0.620 -0.373 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.098 -1.977 0.232 0.00 0.00 -0.023 A ATOM 3 C LIG 1 2.562 -2.071 1.554 0.00 0.00 +0.005 A ATOM 4 C LIG 1 2.885 -3.312 2.107 0.00 0.00 +0.000 A ATOM 5 C LIG 1 2.754 -4.471 1.345 0.00 0.00 +0.000 A ATOM 6 C LIG 1 2.307 -4.392 0.029 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.985 -3.153 -0.527 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.300 -0.610 -0.929 0.00 0.00 +0.186 C ATOM 9 O LIG 1 0.059 -0.815 -2.123 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 -5.020 0.044 -0.257 0.00 0.00 -0.013 A ATOM 11 C LIG 1 -4.287 0.160 0.936 0.00 0.00 +0.034 A ATOM 12 C LIG 1 -2.893 0.007 0.880 0.00 0.00 +0.048 A ATOM 13 C LIG 1 -2.204 -0.255 -0.304 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -0.804 -0.347 0.012 0.00 0.00 +0.044 A ATOM 15 C LIG 1 -0.703 -0.138 1.378 0.00 0.00 +0.095 A ATOM 16 C LIG 1 -2.956 -0.370 -1.492 0.00 0.00 +0.011 A ATOM 17 N LIG 1 -1.959 0.064 1.885 0.00 0.00 -0.360 N ATOM 18 H LIG 1 -2.177 0.229 2.859 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 -4.350 -0.222 -1.455 0.00 0.00 +0.009 A BRANCH 10 24 ATOM 20 C LIG 1 -9.639 1.493 0.857 0.00 0.00 +0.172 C ATOM 21 N LIG 1 -8.502 0.844 0.254 0.00 0.00 -0.274 N ATOM 22 N LIG 1 -8.692 -0.005 -0.771 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 -7.455 -0.402 -1.080 0.00 0.00 +0.142 A ATOM 24 C LIG 1 -6.467 0.185 -0.254 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -7.190 0.993 0.602 0.00 0.00 +0.116 A ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 2.763 -0.290 -1.413 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 3.693 -0.459 -1.032 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 2.673 1.075 -1.935 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 3.143 2.195 -0.984 0.00 0.00 +0.051 C BRANCH 29 30 ATOM 30 C LIG 1 4.568 2.042 -0.489 0.00 0.00 -0.028 A ATOM 31 C LIG 1 4.902 1.853 0.863 0.00 0.00 +0.045 A ATOM 32 CL LIG 1 3.710 1.790 2.112 0.00 0.00 -0.083 Cl ATOM 33 C LIG 1 6.238 1.713 1.256 0.00 0.00 +0.039 A ATOM 34 C LIG 1 7.262 1.764 0.308 0.00 0.00 +0.053 A ATOM 35 C LIG 1 6.947 1.960 -1.037 0.00 0.00 +0.019 A ATOM 36 C LIG 1 5.613 2.100 -1.430 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 8.629 1.622 0.716 0.00 0.00 +0.099 C ATOM 38 N LIG 1 9.734 1.508 1.049 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9