REMARK Name = BDB031929 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.260 -1.400 0.908 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.750 -1.505 -0.402 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.669 -0.696 -0.768 0.00 0.00 +0.068 A ATOM 4 C LIG 1 1.049 0.183 0.108 0.00 0.00 +0.041 A ATOM 5 C LIG 1 0.012 0.793 -0.657 0.00 0.00 +0.154 A ATOM 6 N LIG 1 0.033 0.384 -1.929 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 1.536 0.277 1.423 0.00 0.00 +0.014 A ATOM 8 N LIG 1 1.004 -0.544 -1.953 0.00 0.00 -0.275 N ATOM 9 H LIG 1 1.184 -1.026 -2.826 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.626 -0.520 1.803 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 6.242 0.876 -1.796 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.742 0.230 -0.659 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.158 -1.067 -0.384 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.820 -2.046 0.706 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.451 -2.229 1.333 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.668 -3.256 0.388 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.375 -2.965 -0.765 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.022 -3.614 -1.187 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.700 -4.286 1.040 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.587 -1.607 2.122 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.090 -1.682 -1.235 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.618 -1.068 -2.349 0.00 0.00 +0.027 A ATOM 23 C LIG 1 7.179 0.229 -2.625 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.824 2.764 -1.516 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.901 2.138 -2.206 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -0.803 1.770 -0.191 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -0.978 2.487 -0.894 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.119 1.567 0.284 0.00 0.00 +0.166 A ATOM 29 C LIG 1 -2.504 0.524 1.155 0.00 0.00 +0.161 A ATOM 30 C LIG 1 -3.848 0.447 1.535 0.00 0.00 +0.063 A ATOM 31 C LIG 1 -4.750 1.391 1.052 0.00 0.00 +0.059 A ATOM 32 C LIG 1 -4.284 2.413 0.251 0.00 0.00 +0.126 A ATOM 33 N LIG 1 -2.997 2.512 -0.148 0.00 0.00 -0.236 NA BRANCH 31 34 ATOM 34 C LIG 1 -6.162 1.334 1.450 0.00 0.00 +0.248 C ATOM 35 N LIG 1 -7.126 1.085 0.481 0.00 0.00 -0.293 N ATOM 36 C LIG 1 -6.871 0.909 -0.955 0.00 0.00 +0.136 C ATOM 37 C LIG 1 -7.872 -0.063 -1.590 0.00 0.00 +0.179 C ATOM 38 O LIG 1 -9.224 0.317 -1.300 0.00 0.00 -0.377 OA ATOM 39 C LIG 1 -9.451 0.303 0.117 0.00 0.00 +0.179 C ATOM 40 C LIG 1 -8.534 1.298 0.830 0.00 0.00 +0.136 C ATOM 41 O LIG 1 -6.414 1.493 2.642 0.00 0.00 -0.270 OA ENDBRANCH 31 34 BRANCH 29 42 ATOM 42 O LIG 1 -1.544 -0.347 1.588 0.00 0.00 -0.492 OA ATOM 43 C LIG 1 -1.931 -1.403 2.455 0.00 0.00 +0.277 C ENDBRANCH 29 42 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6