REMARK Name = BDB028138 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.552 -0.575 0.352 0.00 0.00 +0.083 A ATOM 2 C LIG 1 -1.338 0.239 0.088 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -1.529 1.533 -0.385 0.00 0.00 +0.050 A ATOM 4 C LIG 1 -0.433 2.356 -0.659 0.00 0.00 +0.014 A ATOM 5 C LIG 1 0.863 1.876 -0.457 0.00 0.00 +0.009 A ATOM 6 C LIG 1 1.085 0.573 0.021 0.00 0.00 -0.016 A ATOM 7 C LIG 1 -2.898 2.027 -0.596 0.00 0.00 +0.272 A ATOM 8 O LIG 1 -3.110 3.161 -1.012 0.00 0.00 -0.266 OA ATOM 9 N LIG 1 -3.910 1.147 -0.302 0.00 0.00 -0.242 N ATOM 10 H LIG 1 -4.862 1.471 -0.442 0.00 0.00 +0.192 HD ATOM 11 C LIG 1 -0.034 -0.239 0.291 0.00 0.00 +0.019 A ATOM 12 N LIG 1 -3.759 -0.123 0.159 0.00 0.00 -0.174 NA ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 2.450 0.071 0.229 0.00 0.00 +0.000 A ATOM 14 C LIG 1 2.861 -0.472 1.448 0.00 0.00 +0.119 A ATOM 15 N LIG 1 4.099 -0.959 1.702 0.00 0.00 -0.263 NA ATOM 16 C LIG 1 4.990 -0.901 0.691 0.00 0.00 +0.111 A ATOM 17 C LIG 1 4.699 -0.381 -0.557 0.00 0.00 +0.020 A ATOM 18 C LIG 1 3.414 0.109 -0.787 0.00 0.00 +0.011 A ENDBRANCH 6 13 BRANCH 1 19 ATOM 19 C LIG 1 -2.371 -2.006 0.871 0.00 0.00 +0.136 C BRANCH 19 20 ATOM 20 N LIG 1 -3.669 -2.657 1.085 0.00 0.00 -0.325 NA ATOM 21 H LIG 1 -4.190 -2.601 0.206 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 -4.215 -2.060 1.711 0.00 0.00 +0.119 HD ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 3