REMARK Name = BDB004651 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.095 -0.252 -0.509 0.00 0.00 -0.320 N ATOM 2 H LIG 1 0.178 0.696 -0.767 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 0.780 -0.645 0.531 0.00 0.00 +0.130 A ATOM 4 C LIG 1 2.174 -0.591 0.310 0.00 0.00 +0.041 A ATOM 5 C LIG 1 3.001 -0.971 1.386 0.00 0.00 +0.088 A ATOM 6 C LIG 1 4.397 -0.908 1.190 0.00 0.00 +0.063 A ATOM 7 C LIG 1 4.947 -0.493 -0.039 0.00 0.00 +0.015 A ATOM 8 C LIG 1 4.125 -0.138 -1.096 0.00 0.00 +0.002 A ATOM 9 N LIG 1 2.455 -1.381 2.553 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 1.122 -1.425 2.642 0.00 0.00 +0.223 A ATOM 11 C LIG 1 2.749 -0.188 -0.922 0.00 0.00 +0.013 A ATOM 12 N LIG 1 0.259 -1.085 1.687 0.00 0.00 -0.220 NA BRANCH 6 13 ATOM 13 C LIG 1 5.392 -1.271 2.248 0.00 0.00 +0.244 C ATOM 14 O LIG 1 6.600 -1.215 2.040 0.00 0.00 -0.270 OA ATOM 15 N LIG 1 4.931 -1.671 3.466 0.00 0.00 -0.325 N ATOM 16 H LIG 1 5.595 -1.941 4.178 0.00 0.00 +0.145 HD ATOM 17 H LIG 1 3.935 -1.750 3.647 0.00 0.00 +0.145 HD ENDBRANCH 6 13 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 C LIG 1 -1.552 -0.268 -0.221 0.00 0.00 +0.119 C BRANCH 18 20 ATOM 19 C LIG 1 -3.214 1.662 -0.523 0.00 0.00 +0.125 A ATOM 20 C LIG 1 -2.240 0.805 -1.074 0.00 0.00 +0.016 A ATOM 21 C LIG 1 -1.930 0.920 -2.446 0.00 0.00 +0.009 A ATOM 22 C LIG 1 -2.549 1.880 -3.244 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -3.493 2.733 -2.687 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -3.827 2.624 -1.335 0.00 0.00 +0.046 A BRANCH 19 26 ATOM 25 C LIG 1 -4.501 2.303 1.386 0.00 0.00 +0.277 C ATOM 26 O LIG 1 -3.499 1.478 0.804 0.00 0.00 -0.495 OA ENDBRANCH 19 26 ENDBRANCH 18 20 BRANCH 18 27 ATOM 27 C LIG 1 -2.191 -1.657 -0.546 0.00 0.00 +0.104 C BRANCH 27 28 ATOM 28 N LIG 1 -1.536 -2.824 0.072 0.00 0.00 -0.328 NA ATOM 29 H LIG 1 -1.314 -2.561 1.038 0.00 0.00 +0.118 HD ATOM 30 H LIG 1 -0.607 -2.890 -0.351 0.00 0.00 +0.118 HD ENDBRANCH 27 28 ENDBRANCH 18 27 ENDBRANCH 1 18 TORSDOF 7