REMARK Name = BDB010785 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.740 -0.632 0.609 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.416 -0.479 1.015 0.00 0.00 +0.128 A ATOM 3 C LIG 1 0.038 -0.881 2.287 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.298 -0.724 2.494 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 -1.773 -0.239 1.365 0.00 0.00 +0.140 A ATOM 6 N LIG 1 0.877 -1.380 3.207 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.136 -1.439 2.755 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.741 0.054 0.484 0.00 0.00 -0.320 N ATOM 9 N LIG 1 2.598 -1.096 1.538 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 3.125 -1.972 3.719 0.00 0.00 +0.220 A ATOM 11 N LIG 1 2.716 -2.326 4.949 0.00 0.00 -0.269 N ATOM 12 H LIG 1 1.779 -2.275 5.315 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 3.793 -2.773 5.604 0.00 0.00 +0.440 A ATOM 14 O LIG 1 3.815 -3.188 6.752 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 4.878 -2.689 4.766 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 4.392 -2.155 3.528 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 -3.145 0.014 1.037 0.00 0.00 -0.001 C ATOM 18 C LIG 1 -3.892 1.146 1.726 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -5.412 1.044 1.646 0.00 0.00 +0.005 C ATOM 20 C LIG 1 -5.843 0.699 0.231 0.00 0.00 +0.005 C ATOM 21 C LIG 1 -5.250 -0.641 -0.199 0.00 0.00 +0.036 C ATOM 22 C LIG 1 -3.792 -0.824 0.181 0.00 0.00 -0.034 C BRANCH 22 23 ATOM 23 C LIG 1 -3.154 -2.005 -0.455 0.00 0.00 -0.021 A ATOM 24 C LIG 1 -2.975 -2.057 -1.844 0.00 0.00 +0.008 A ATOM 25 C LIG 1 -2.356 -3.158 -2.440 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -1.913 -4.219 -1.652 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -2.093 -4.183 -0.271 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -2.715 -3.084 0.324 0.00 0.00 +0.008 A ENDBRANCH 22 23 ENDBRANCH 5 17 BRANCH 1 29 ATOM 29 N LIG 1 2.184 -0.334 -0.672 0.00 0.00 -0.324 N ATOM 30 H LIG 1 1.505 -0.595 -1.377 0.00 0.00 +0.148 HD BRANCH 29 32 ATOM 31 C LIG 1 4.024 0.309 -2.092 0.00 0.00 +0.028 C ATOM 32 C LIG 1 3.554 -0.706 -1.043 0.00 0.00 +0.072 C BRANCH 32 33 ATOM 33 C LIG 1 3.596 -2.110 -1.653 0.00 0.00 +0.009 C ATOM 34 C LIG 1 4.998 -2.693 -1.997 0.00 0.00 +0.005 C ATOM 35 C LIG 1 4.433 -4.076 -1.615 0.00 0.00 +0.001 C ATOM 36 C LIG 1 3.441 -3.331 -0.700 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 1 29 BRANCH 8 37 ATOM 37 C LIG 1 -0.859 0.858 -0.722 0.00 0.00 +0.127 C BRANCH 37 38 ATOM 38 C LIG 1 -0.772 2.377 -0.471 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -1.260 3.132 -1.718 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -1.172 4.646 -1.543 0.00 0.00 +0.003 C ATOM 41 C LIG 1 0.248 5.089 -1.173 0.00 0.00 -0.014 C ATOM 42 C LIG 1 0.303 6.601 -0.958 0.00 0.00 +0.007 C ATOM 43 C LIG 1 0.738 4.346 0.074 0.00 0.00 +0.003 C ATOM 44 C LIG 1 0.648 2.830 -0.098 0.00 0.00 +0.005 C ENDBRANCH 37 38 ENDBRANCH 8 37 TORSDOF 8