REMARK Name = BDB035187 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.464 -0.564 -0.185 0.00 0.00 +0.189 A ATOM 2 N LIG 1 3.250 -0.006 -0.043 0.00 0.00 -0.144 NA ATOM 3 N LIG 1 2.413 -1.026 -0.349 0.00 0.00 -0.213 N ATOM 4 C LIG 1 3.162 -2.125 -0.683 0.00 0.00 +0.175 A ATOM 5 C LIG 1 2.493 -3.331 -1.050 0.00 0.00 +0.159 A ATOM 6 N LIG 1 1.191 -3.407 -1.074 0.00 0.00 -0.258 NA ATOM 7 C LIG 1 0.470 -2.273 -0.732 0.00 0.00 +0.134 A ATOM 8 C LIG 1 1.018 -1.090 -0.372 0.00 0.00 +0.067 A ATOM 9 N LIG 1 4.446 -1.875 -0.609 0.00 0.00 -0.205 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 6.041 0.678 1.268 0.00 0.00 +0.229 A ATOM 11 C LIG 1 5.702 0.149 0.033 0.00 0.00 +0.104 A ATOM 12 C LIG 1 6.627 0.334 -0.992 0.00 0.00 +0.062 A ATOM 13 N LIG 1 7.794 0.996 -0.767 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 8.013 1.466 0.467 0.00 0.00 +0.225 A ATOM 15 N LIG 1 7.191 1.341 1.511 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 6.397 -0.184 -2.401 0.00 0.00 +0.039 C ATOM 17 C LIG 1 5.364 0.472 -3.291 0.00 0.00 +0.010 C ATOM 18 C LIG 1 6.821 0.643 -3.595 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 5.548 1.146 3.521 0.00 0.00 +0.279 C ATOM 20 O LIG 1 5.171 0.473 2.325 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 8 21 ATOM 21 C LIG 1 0.281 0.171 0.004 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 -1.230 0.096 -0.023 0.00 0.00 -0.041 A ATOM 23 C LIG 1 -1.944 -0.274 1.124 0.00 0.00 +0.005 A ATOM 24 C LIG 1 -3.339 -0.369 1.091 0.00 0.00 +0.012 A ATOM 25 C LIG 1 -4.044 -0.090 -0.085 0.00 0.00 +0.017 A ATOM 26 C LIG 1 -3.326 0.255 -1.237 0.00 0.00 +0.012 A ATOM 27 C LIG 1 -1.933 0.354 -1.207 0.00 0.00 +0.005 A BRANCH 25 28 ATOM 28 C LIG 1 -5.502 -0.190 -0.156 0.00 0.00 +0.142 A ATOM 29 N LIG 1 -6.397 0.450 0.673 0.00 0.00 -0.327 N ATOM 30 C LIG 1 -7.665 0.168 0.261 0.00 0.00 +0.120 A ATOM 31 C LIG 1 -7.520 -0.671 -0.831 0.00 0.00 +0.162 A ATOM 32 N LIG 1 -6.166 -0.866 -1.080 0.00 0.00 -0.224 NA BRANCH 31 33 ATOM 33 C LIG 1 -8.591 -1.299 -1.675 0.00 0.00 +0.436 C ATOM 34 F LIG 1 -8.675 -2.641 -1.483 0.00 0.00 -0.164 F ATOM 35 F LIG 1 -9.821 -0.790 -1.387 0.00 0.00 -0.164 F ATOM 36 F LIG 1 -8.393 -1.096 -3.004 0.00 0.00 -0.164 F ENDBRANCH 31 33 BRANCH 29 37 ATOM 37 C LIG 1 -6.061 1.419 1.743 0.00 0.00 +0.089 C ATOM 38 C LIG 1 -7.018 1.821 2.844 0.00 0.00 +0.027 C ATOM 39 C LIG 1 -5.821 0.979 3.169 0.00 0.00 +0.027 C ENDBRANCH 29 37 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 8