REMARK Name = BDB006570 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.450 -1.461 -0.260 0.00 0.00 +0.160 A ATOM 2 N LIG 1 0.332 -0.633 -0.359 0.00 0.00 -0.319 N ATOM 3 C LIG 1 -0.728 -1.245 0.305 0.00 0.00 +0.109 A ATOM 4 C LIG 1 -0.173 -2.426 0.787 0.00 0.00 +0.095 A ATOM 5 C LIG 1 -0.941 -3.342 1.494 0.00 0.00 +0.065 A ATOM 6 CA LIG 1 -2.266 -2.996 1.657 0.00 0.00 +0.152 A ATOM 7 N LIG 1 -2.821 -1.850 1.189 0.00 0.00 -0.223 NA ATOM 8 C LIG 1 -2.084 -0.933 0.522 0.00 0.00 +0.146 A ATOM 9 N LIG 1 1.151 -2.523 0.471 0.00 0.00 -0.226 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 5.135 -1.824 -0.987 0.00 0.00 -0.041 A ATOM 11 C LIG 1 3.870 -2.018 -0.418 0.00 0.00 +0.035 A ATOM 12 C LIG 1 2.788 -1.247 -0.846 0.00 0.00 +0.106 A ATOM 13 N LIG 1 2.909 -0.310 -1.813 0.00 0.00 -0.252 NA ATOM 14 C LIG 1 4.134 -0.135 -2.356 0.00 0.00 +0.112 A ATOM 15 C LIG 1 5.258 -0.853 -1.982 0.00 0.00 +0.023 A BRANCH 10 17 ATOM 16 C LIG 1 7.411 -1.789 0.091 0.00 0.00 +0.012 C ATOM 17 C LIG 1 6.312 -2.659 -0.523 0.00 0.00 +0.013 C ATOM 18 C LIG 1 6.870 -3.522 -1.657 0.00 0.00 +0.012 C ENDBRANCH 10 17 ENDBRANCH 1 12 BRANCH 6 19 ATOM 19 C LIG 1 -3.143 -3.937 2.413 0.00 0.00 +0.355 C ATOM 20 O LIG 1 -2.810 -5.030 2.841 0.00 0.00 -0.243 OA BRANCH 19 21 ATOM 21 OXT LIG 1 -4.391 -3.472 2.617 0.00 0.00 -0.476 OA ATOM 22 HXT LIG 1 -4.841 -4.186 3.111 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 6 19 BRANCH 8 23 ATOM 23 N LIG 1 -2.660 0.254 0.104 0.00 0.00 -0.325 N ATOM 24 H LIG 1 -2.058 1.034 0.332 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -4.074 0.576 0.332 0.00 0.00 +0.072 C ATOM 26 C LIG 1 -4.409 0.716 1.814 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 -5.033 -0.315 -0.465 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -5.688 -1.604 0.116 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -6.938 -1.257 -0.718 0.00 0.00 +0.001 C ATOM 30 C LIG 1 -6.487 0.215 -0.644 0.00 0.00 +0.005 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 2 31 ATOM 31 C LIG 1 0.273 0.619 -1.097 0.00 0.00 +0.127 C BRANCH 31 32 ATOM 32 C LIG 1 1.001 1.804 -0.423 0.00 0.00 +0.009 C ATOM 33 C LIG 1 0.340 2.279 0.888 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -0.601 3.461 0.670 0.00 0.00 +0.003 C ATOM 35 C LIG 1 0.132 4.686 0.093 0.00 0.00 -0.014 C ATOM 36 C LIG 1 0.543 5.663 1.195 0.00 0.00 +0.007 C ATOM 37 C LIG 1 1.357 4.294 -0.752 0.00 0.00 +0.003 C ATOM 38 C LIG 1 1.146 2.953 -1.443 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 9