REMARK Name = BDB057567 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.440 0.282 0.173 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -2.905 0.155 -0.029 0.00 0.00 -0.331 N ATOM 3 H LIG 1 -3.279 -0.573 0.600 0.00 0.00 +0.147 HD BRANCH 2 8 ATOM 4 C LIG 1 -6.742 4.439 -0.257 0.00 0.00 +0.044 C ATOM 5 C LIG 1 -5.742 3.322 -0.227 0.00 0.00 -0.050 A ATOM 6 C LIG 1 -6.144 2.014 0.045 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -5.196 0.976 0.099 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -3.810 1.225 -0.048 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -3.440 2.542 -0.345 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -4.384 3.576 -0.418 0.00 0.00 +0.005 A BRANCH 7 11 ATOM 11 C LIG 1 -5.677 -0.406 0.371 0.00 0.00 +0.195 C ATOM 12 O LIG 1 -5.099 -1.087 1.216 0.00 0.00 -0.287 OA BRANCH 11 13 ATOM 13 C LIG 1 -6.838 -0.973 -0.365 0.00 0.00 +0.022 A ATOM 14 C LIG 1 -7.620 -1.946 0.269 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -8.715 -2.504 -0.392 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -9.026 -2.100 -1.690 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -8.239 -1.144 -2.333 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -7.142 -0.583 -1.676 0.00 0.00 +0.012 A ENDBRANCH 11 13 ENDBRANCH 7 11 ENDBRANCH 2 8 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -1.081 1.165 1.372 0.00 0.00 +0.326 C ATOM 20 O LIG 1 -0.495 2.238 1.358 0.00 0.00 -0.249 OA BRANCH 19 21 ATOM 21 OXT LIG 1 -1.506 0.642 2.545 0.00 0.00 -0.479 OA ATOM 22 HXT LIG 1 -1.264 1.315 3.214 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 1 23 ATOM 23 C LIG 1 -0.718 0.686 -1.124 0.00 0.00 +0.068 C BRANCH 23 24 ATOM 24 C LIG 1 0.697 0.149 -1.190 0.00 0.00 -0.045 A ATOM 25 C LIG 1 0.941 -1.150 -1.655 0.00 0.00 +0.007 A ATOM 26 C LIG 1 2.243 -1.661 -1.697 0.00 0.00 +0.046 A ATOM 27 C LIG 1 3.315 -0.880 -1.269 0.00 0.00 +0.121 A ATOM 28 C LIG 1 3.075 0.417 -0.811 0.00 0.00 +0.046 A ATOM 29 C LIG 1 1.778 0.929 -0.766 0.00 0.00 +0.007 A BRANCH 27 30 ATOM 30 O LIG 1 4.628 -1.253 -1.266 0.00 0.00 -0.490 OA BRANCH 30 31 ATOM 31 C LIG 1 4.915 -2.639 -1.455 0.00 0.00 +0.248 C BRANCH 31 32 ATOM 32 C LIG 1 6.415 -2.897 -1.226 0.00 0.00 +0.150 C BRANCH 32 33 ATOM 33 N LIG 1 6.800 -2.869 0.191 0.00 0.00 -0.285 N ATOM 34 C LIG 1 6.397 -3.991 1.023 0.00 0.00 +0.134 C BRANCH 33 35 ATOM 35 C LIG 1 6.949 -1.675 0.817 0.00 0.00 +0.291 A ATOM 36 O LIG 1 7.204 -0.577 0.036 0.00 0.00 -0.424 OA ATOM 37 C LIG 1 7.293 0.452 0.923 0.00 0.00 +0.157 A ATOM 38 C LIG 1 7.113 -0.070 2.191 0.00 0.00 +0.111 A ATOM 39 C LIG 1 7.164 0.794 3.292 0.00 0.00 +0.031 A ATOM 40 C LIG 1 7.392 2.158 3.053 0.00 0.00 +0.002 A ATOM 41 C LIG 1 7.566 2.646 1.750 0.00 0.00 +0.004 A ATOM 42 C LIG 1 7.522 1.793 0.641 0.00 0.00 +0.048 A ATOM 43 N LIG 1 6.908 -1.423 2.111 0.00 0.00 -0.195 NA ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 13