REMARK Name = BDB017440 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.933 -1.410 1.199 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -4.615 -0.092 1.578 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -3.313 0.374 1.365 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -2.305 -0.407 0.814 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -1.158 0.444 0.775 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -1.439 1.662 1.262 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -2.609 -1.733 0.457 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -2.732 1.587 1.611 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -3.168 2.408 2.014 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -3.913 -2.212 0.659 0.00 0.00 +0.005 A ENDROOT BRANCH 1 14 ATOM 11 O LIG 1 -9.244 -1.920 2.328 0.00 0.00 -0.274 OA ATOM 12 C LIG 1 -8.831 -1.190 1.443 0.00 0.00 +0.228 C ATOM 13 C LIG 1 -7.534 -1.376 0.689 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -6.329 -1.950 1.408 0.00 0.00 +0.040 C ATOM 15 C LIG 1 -7.029 -2.742 0.322 0.00 0.00 +0.031 C ATOM 16 C LIG 1 -7.516 -0.238 -0.293 0.00 0.00 -0.011 A ATOM 17 C LIG 1 -8.679 0.522 -0.086 0.00 0.00 +0.038 A ATOM 18 C LIG 1 -8.993 1.649 -0.817 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -8.094 2.033 -1.812 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -6.926 1.287 -2.049 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -6.635 0.145 -1.293 0.00 0.00 +0.006 A ATOM 22 N LIG 1 -9.434 -0.051 0.940 0.00 0.00 -0.284 N ATOM 23 H LIG 1 -10.322 0.288 1.274 0.00 0.00 +0.155 HD ENDBRANCH 1 14 BRANCH 5 24 ATOM 24 C LIG 1 0.132 0.054 0.280 0.00 0.00 +0.031 C ATOM 25 C LIG 1 1.207 0.859 0.227 0.00 0.00 +0.010 C BRANCH 25 26 ATOM 26 C LIG 1 2.518 0.448 -0.292 0.00 0.00 -0.025 A ATOM 27 C LIG 1 3.080 -0.799 0.001 0.00 0.00 +0.008 A ATOM 28 C LIG 1 4.344 -1.143 -0.490 0.00 0.00 +0.005 A ATOM 29 C LIG 1 5.080 -0.242 -1.272 0.00 0.00 -0.033 A ATOM 30 C LIG 1 4.516 1.010 -1.557 0.00 0.00 +0.005 A ATOM 31 C LIG 1 3.253 1.353 -1.065 0.00 0.00 +0.008 A BRANCH 29 32 ATOM 32 C LIG 1 6.447 -0.617 -1.805 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 7.607 -0.197 -1.012 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 7.779 1.243 -0.886 0.00 0.00 +0.085 C ATOM 35 C LIG 1 9.220 1.564 -0.466 0.00 0.00 +0.015 C ATOM 36 C LIG 1 9.810 0.545 0.512 0.00 0.00 +0.002 C ATOM 37 C LIG 1 8.710 -0.212 1.243 0.00 0.00 +0.015 C ATOM 38 C LIG 1 7.756 -0.908 0.261 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 5 24 TORSDOF 5