REMARK Name = BDB056034 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.173 0.107 1.212 0.00 0.00 +0.121 A ATOM 2 N LIG 1 -0.321 0.187 2.483 0.00 0.00 -0.263 N ATOM 3 H LIG 1 0.196 0.252 3.350 0.00 0.00 +0.190 HD ATOM 4 N LIG 1 -1.659 0.177 2.554 0.00 0.00 -0.172 NA ATOM 5 C LIG 1 -2.067 0.095 1.276 0.00 0.00 +0.094 A ATOM 6 C LIG 1 -0.940 0.046 0.406 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.493 0.063 0.922 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -4.477 0.085 1.920 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -5.841 0.054 1.598 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -6.252 0.005 0.268 0.00 0.00 +0.035 A ATOM 11 C LIG 1 -5.276 -0.024 -0.735 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -3.913 0.007 -0.412 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 N LIG 1 -7.601 -0.041 -0.142 0.00 0.00 -0.269 N ATOM 14 H LIG 1 -7.755 -0.052 -1.139 0.00 0.00 +0.156 HD ATOM 15 C LIG 1 -8.730 0.127 0.647 0.00 0.00 +0.308 C ATOM 16 N LIG 1 -9.874 -0.116 -0.101 0.00 0.00 -0.268 N ATOM 17 H LIG 1 -9.734 -0.602 -0.975 0.00 0.00 +0.156 HD ATOM 18 O LIG 1 -8.724 0.443 1.829 0.00 0.00 -0.252 OA BRANCH 16 19 ATOM 19 C LIG 1 -11.214 0.051 0.310 0.00 0.00 +0.053 A ATOM 20 C LIG 1 -12.233 -0.406 -0.526 0.00 0.00 +0.134 A ATOM 21 N LIG 1 -13.558 -0.301 -0.264 0.00 0.00 -0.261 NA ATOM 22 C LIG 1 -13.891 0.296 0.899 0.00 0.00 +0.111 A ATOM 23 C LIG 1 -12.962 0.792 1.798 0.00 0.00 +0.021 A ATOM 24 C LIG 1 -11.606 0.668 1.495 0.00 0.00 +0.026 A ENDBRANCH 16 19 ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 26 ATOM 25 C LIG 1 2.040 0.072 -0.339 0.00 0.00 +0.249 C ATOM 26 N LIG 1 1.530 0.095 0.950 0.00 0.00 -0.267 N ATOM 27 H LIG 1 2.175 0.174 1.726 0.00 0.00 +0.157 HD ATOM 28 O LIG 1 1.395 0.113 -1.381 0.00 0.00 -0.270 OA BRANCH 25 32 ATOM 29 C LIG 1 6.365 0.004 -0.649 0.00 0.00 +0.030 A ATOM 30 C LIG 1 5.696 -0.701 0.366 0.00 0.00 +0.024 A ATOM 31 C LIG 1 4.298 -0.697 0.483 0.00 0.00 +0.015 A ATOM 32 C LIG 1 3.526 0.032 -0.421 0.00 0.00 +0.037 A ATOM 33 C LIG 1 4.159 0.725 -1.452 0.00 0.00 +0.015 A ATOM 34 C LIG 1 5.557 0.711 -1.555 0.00 0.00 +0.024 A BRANCH 29 39 ATOM 35 C LIG 1 11.757 -0.959 -0.794 0.00 0.00 +0.105 C ATOM 36 N LIG 1 10.738 0.070 -0.979 0.00 0.00 -0.302 NA ATOM 37 C LIG 1 9.824 -0.296 -2.083 0.00 0.00 +0.103 C ATOM 38 C LIG 1 8.433 0.373 -2.002 0.00 0.00 +0.120 C ATOM 39 N LIG 1 7.745 -0.008 -0.755 0.00 0.00 -0.327 N ATOM 40 C LIG 1 8.610 -0.343 0.389 0.00 0.00 +0.120 C ATOM 41 C LIG 1 9.993 0.340 0.268 0.00 0.00 +0.103 C ENDBRANCH 29 39 ENDBRANCH 25 32 ENDBRANCH 1 26 TORSDOF 6