REMARK Name = BDB021294 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.087 -0.142 -0.181 0.00 0.00 +0.045 A ATOM 2 C LIG 1 -0.683 -1.198 -0.744 0.00 0.00 +0.151 A ATOM 3 N LIG 1 -2.028 -1.218 -0.434 0.00 0.00 -0.270 N ATOM 4 C LIG 1 -2.564 -2.340 -1.020 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -1.518 -2.924 -1.697 0.00 0.00 +0.159 A ATOM 6 C LIG 1 -2.635 -0.240 0.376 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -1.915 0.712 0.905 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -0.356 -2.209 -1.527 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 -0.567 0.734 0.611 0.00 0.00 +0.126 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 2.137 -1.928 1.095 0.00 0.00 +0.066 C ATOM 11 C LIG 1 2.504 -0.772 0.209 0.00 0.00 +0.048 A ATOM 12 C LIG 1 1.535 0.042 -0.385 0.00 0.00 +0.008 A ATOM 13 C LIG 1 1.988 1.081 -1.202 0.00 0.00 +0.014 A ATOM 14 C LIG 1 3.356 1.273 -1.387 0.00 0.00 +0.044 A ATOM 15 C LIG 1 4.269 0.434 -0.752 0.00 0.00 +0.122 A ATOM 16 N LIG 1 3.839 -0.578 0.031 0.00 0.00 -0.237 NA BRANCH 15 17 ATOM 17 N LIG 1 5.649 0.641 -0.946 0.00 0.00 -0.313 N ATOM 18 C LIG 1 6.075 1.983 -0.479 0.00 0.00 +0.122 C ATOM 19 C LIG 1 7.573 1.997 -0.095 0.00 0.00 +0.103 C ATOM 20 N LIG 1 7.901 1.070 1.013 0.00 0.00 -0.302 NA ATOM 21 C LIG 1 9.331 0.776 1.028 0.00 0.00 +0.105 C ATOM 22 C LIG 1 7.085 -0.169 0.935 0.00 0.00 +0.103 C ATOM 23 C LIG 1 6.507 -0.466 -0.466 0.00 0.00 +0.122 C ENDBRANCH 15 17 ENDBRANCH 1 12 BRANCH 5 24 ATOM 24 C LIG 1 -1.557 -4.121 -2.481 0.00 0.00 +0.121 C ATOM 25 N LIG 1 -1.624 -5.094 -3.112 0.00 0.00 -0.189 NA ENDBRANCH 5 24 BRANCH 6 26 ATOM 26 N LIG 1 -3.985 -0.293 0.638 0.00 0.00 -0.310 N ATOM 27 H LIG 1 -4.168 0.316 1.433 0.00 0.00 +0.149 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.924 0.050 -0.424 0.00 0.00 +0.143 C BRANCH 28 29 ATOM 29 C LIG 1 -6.323 -0.226 0.036 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -7.056 0.673 0.806 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.679 1.999 1.356 0.00 0.00 +0.080 C ATOM 32 C LIG 1 -8.058 2.483 1.806 0.00 0.00 +0.234 C ATOM 33 O LIG 1 -8.916 1.338 2.009 0.00 0.00 -0.491 OA ATOM 34 C LIG 1 -8.335 0.357 1.248 0.00 0.00 +0.124 A ATOM 35 C LIG 1 -8.941 -0.849 0.958 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -8.228 -1.763 0.183 0.00 0.00 +0.042 A ATOM 37 C LIG 1 -6.938 -1.449 -0.265 0.00 0.00 +0.129 A ATOM 38 F LIG 1 -6.279 -2.356 -1.001 0.00 0.00 -0.205 F ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 6 26 TORSDOF 6