REMARK Name = BDB027455 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.401 0.543 -1.547 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -1.526 0.117 -0.817 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -2.376 1.087 -0.241 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.099 2.446 -0.379 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -1.015 2.865 -1.067 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -0.209 1.924 -1.620 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.942 3.514 0.205 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -4.323 3.345 0.435 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -5.098 4.369 0.994 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -4.503 5.578 1.327 0.00 0.00 +0.123 A ATOM 11 F LIG 1 -5.246 6.557 1.860 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -3.149 5.785 1.109 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -2.378 4.761 0.551 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 16 ATOM 14 C LIG 1 2.908 -0.283 -1.430 0.00 0.00 +0.077 C ATOM 15 C LIG 1 1.503 -0.946 -1.262 0.00 0.00 +0.133 C ATOM 16 N LIG 1 0.448 -0.390 -2.147 0.00 0.00 -0.326 N ATOM 17 C LIG 1 0.814 -0.195 -3.557 0.00 0.00 +0.105 C ATOM 18 C LIG 1 2.185 0.446 -3.758 0.00 0.00 +0.021 C ATOM 19 C LIG 1 3.268 -0.247 -2.929 0.00 0.00 +0.031 C BRANCH 14 22 ATOM 20 N LIG 1 5.245 -1.534 0.995 0.00 0.00 -0.271 N ATOM 21 N LIG 1 4.378 -0.598 0.567 0.00 0.00 -0.174 NA ATOM 22 C LIG 1 3.936 -1.068 -0.614 0.00 0.00 +0.084 A ATOM 23 C LIG 1 4.527 -2.322 -0.914 0.00 0.00 +0.046 A ATOM 24 C LIG 1 5.359 -2.594 0.145 0.00 0.00 +0.108 A BRANCH 20 26 ATOM 25 C LIG 1 7.208 -0.527 2.089 0.00 0.00 +0.029 C ATOM 26 C LIG 1 5.942 -1.349 2.254 0.00 0.00 +0.140 C ENDBRANCH 20 26 ENDBRANCH 14 22 BRANCH 14 27 ATOM 27 N LIG 1 2.913 1.121 -0.933 0.00 0.00 -0.319 NA ATOM 28 H LIG 1 2.690 1.067 0.067 0.00 0.00 +0.119 HD ATOM 29 H LIG 1 3.889 1.424 -0.917 0.00 0.00 +0.119 HD ENDBRANCH 14 27 ENDBRANCH 1 16 BRANCH 2 30 ATOM 30 C LIG 1 -1.898 -1.348 -0.742 0.00 0.00 +0.160 C BRANCH 30 31 ATOM 31 N LIG 1 -2.294 -1.767 0.595 0.00 0.00 -0.325 N ATOM 32 C LIG 1 -3.557 -2.117 1.012 0.00 0.00 +0.074 A ATOM 33 C LIG 1 -3.390 -2.461 2.354 0.00 0.00 +0.128 A ATOM 34 C LIG 1 -4.515 -2.866 3.110 0.00 0.00 +0.144 A ATOM 35 N LIG 1 -5.727 -2.937 2.506 0.00 0.00 -0.238 NA ATOM 36 C LIG 1 -5.841 -2.590 1.202 0.00 0.00 +0.115 A ATOM 37 N LIG 1 -2.062 -2.353 2.725 0.00 0.00 -0.232 NA ATOM 38 C LIG 1 -4.801 -2.166 0.387 0.00 0.00 +0.048 A ATOM 39 C LIG 1 -1.437 -1.930 1.650 0.00 0.00 +0.200 A BRANCH 34 40 ATOM 40 N LIG 1 -4.434 -3.229 4.449 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -5.194 -3.844 4.708 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -3.494 -3.493 4.723 0.00 0.00 +0.144 HD ENDBRANCH 34 40 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 8