REMARK Name = BDB010334 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.631 -0.912 -0.260 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.363 -0.795 -0.806 0.00 0.00 -0.307 N ATOM 3 C LIG 1 0.505 -1.516 -0.013 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.319 -2.038 0.975 0.00 0.00 +0.185 A ATOM 5 N LIG 1 0.098 -2.848 1.959 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 1.397 -3.122 1.870 0.00 0.00 +0.203 A ATOM 7 N LIG 1 2.285 -2.662 0.956 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 1.869 -1.811 -0.004 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.608 -1.626 0.835 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 1.971 -4.008 2.908 0.00 0.00 +0.220 A ATOM 11 N LIG 1 3.290 -4.263 2.892 0.00 0.00 -0.269 N ATOM 12 H LIG 1 3.966 -3.910 2.238 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 3.544 -5.073 3.927 0.00 0.00 +0.440 A ATOM 14 O LIG 1 4.639 -5.514 4.236 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 2.365 -5.322 4.583 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 1.350 -4.597 3.878 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 18 ATOM 17 C LIG 1 -3.599 0.465 0.104 0.00 0.00 +0.102 C ATOM 18 N LIG 1 -2.698 -0.285 -0.824 0.00 0.00 -0.293 N ATOM 19 C LIG 1 -3.465 -1.062 -1.822 0.00 0.00 +0.136 C ATOM 20 C LIG 1 -4.388 -0.111 -2.601 0.00 0.00 +0.179 C ATOM 21 O LIG 1 -5.259 0.628 -1.731 0.00 0.00 -0.376 OA ATOM 22 C LIG 1 -4.496 1.381 -0.769 0.00 0.00 +0.182 C BRANCH 17 23 ATOM 23 C LIG 1 -4.460 -0.458 1.005 0.00 0.00 +0.027 C BRANCH 23 25 ATOM 24 C LIG 1 -5.163 -1.104 3.334 0.00 0.00 +0.007 C ATOM 25 C LIG 1 -4.437 -0.050 2.494 0.00 0.00 -0.015 C ATOM 26 C LIG 1 -5.067 1.322 2.735 0.00 0.00 +0.007 C ENDBRANCH 23 25 ENDBRANCH 17 23 ENDBRANCH 1 18 BRANCH 8 27 ATOM 27 N LIG 1 2.764 -1.279 -0.908 0.00 0.00 -0.324 N ATOM 28 H LIG 1 2.521 -0.344 -1.205 0.00 0.00 +0.148 HD BRANCH 27 29 ATOM 29 C LIG 1 4.206 -1.524 -0.923 0.00 0.00 +0.072 C ATOM 30 C LIG 1 4.570 -3.008 -0.904 0.00 0.00 +0.028 C BRANCH 29 31 ATOM 31 C LIG 1 5.029 -0.742 0.104 0.00 0.00 +0.009 C ATOM 32 C LIG 1 4.872 0.806 0.147 0.00 0.00 +0.005 C ATOM 33 C LIG 1 5.288 0.725 1.632 0.00 0.00 +0.001 C ATOM 34 C LIG 1 4.718 -0.710 1.630 0.00 0.00 +0.005 C ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 8 27 BRANCH 2 35 ATOM 35 C LIG 1 -0.067 -0.069 -2.029 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 -0.089 1.464 -1.876 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -0.089 2.133 -3.264 0.00 0.00 +0.005 C ATOM 38 C LIG 1 0.586 3.507 -3.293 0.00 0.00 +0.003 C ATOM 39 C LIG 1 0.419 4.302 -1.995 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -1.027 4.771 -1.807 0.00 0.00 +0.007 C ATOM 41 C LIG 1 0.921 3.508 -0.774 0.00 0.00 +0.003 C ATOM 42 C LIG 1 1.059 2.001 -1.018 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 9