REMARK Name = BDB019467 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.575 -0.975 -1.526 0.00 0.00 +0.101 A ATOM 2 C LIG 1 -0.839 0.144 -0.680 0.00 0.00 +0.080 A ATOM 3 C LIG 1 0.016 1.123 -1.156 0.00 0.00 +0.122 A ATOM 4 N LIG 1 0.729 0.568 -2.173 0.00 0.00 -0.266 N ATOM 5 N LIG 1 0.386 -0.708 -2.426 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -1.769 0.341 0.422 0.00 0.00 +0.248 C ATOM 7 N LIG 1 -2.268 -0.794 1.008 0.00 0.00 -0.307 N ATOM 8 H LIG 1 -1.958 -1.711 0.695 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 -2.086 1.460 0.815 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 -3.258 -0.745 2.058 0.00 0.00 +0.145 C BRANCH 10 11 ATOM 11 C LIG 1 -4.645 -0.562 1.492 0.00 0.00 +0.034 A ATOM 12 C LIG 1 -5.157 -1.684 0.795 0.00 0.00 +0.171 A ATOM 13 F LIG 1 -4.457 -2.833 0.830 0.00 0.00 -0.201 F ATOM 14 C LIG 1 -6.338 -1.649 0.043 0.00 0.00 +0.156 A ATOM 15 C LIG 1 -7.039 -0.455 -0.029 0.00 0.00 +0.050 A ATOM 16 C LIG 1 -6.570 0.670 0.660 0.00 0.00 +0.032 A ATOM 17 C LIG 1 -5.396 0.631 1.452 0.00 0.00 +0.076 A BRANCH 17 18 ATOM 18 N LIG 1 -5.094 1.820 2.184 0.00 0.00 -0.200 N ATOM 19 N LIG 1 -5.672 3.010 1.865 0.00 0.00 -0.039 NA ATOM 20 N LIG 1 -5.264 3.881 2.778 0.00 0.00 -0.023 NA ATOM 21 N LIG 1 -4.475 3.275 3.716 0.00 0.00 -0.116 NA ATOM 22 C LIG 1 -4.399 2.013 3.353 0.00 0.00 +0.250 A ENDBRANCH 17 18 BRANCH 14 23 ATOM 23 O LIG 1 -6.687 -2.818 -0.577 0.00 0.00 -0.492 OA ATOM 24 C LIG 1 -7.849 -2.795 -1.397 0.00 0.00 +0.277 C ENDBRANCH 14 23 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 25 ATOM 25 C LIG 1 -1.232 -2.322 -1.530 0.00 0.00 +0.217 C BRANCH 25 27 ATOM 26 C LIG 1 0.123 -3.629 -0.096 0.00 0.00 +0.194 C ATOM 27 O LIG 1 -1.135 -2.981 -0.256 0.00 0.00 -0.377 OA ENDBRANCH 25 27 ENDBRANCH 1 25 BRANCH 4 28 ATOM 28 C LIG 1 1.767 1.215 -2.966 0.00 0.00 +0.180 C BRANCH 28 29 ATOM 29 C LIG 1 3.087 1.236 -2.253 0.00 0.00 -0.008 A ATOM 30 C LIG 1 3.687 0.072 -1.796 0.00 0.00 +0.118 A ATOM 31 N LIG 1 4.881 0.029 -1.157 0.00 0.00 -0.240 NA ATOM 32 C LIG 1 5.551 1.183 -0.938 0.00 0.00 +0.121 A ATOM 33 C LIG 1 5.026 2.390 -1.397 0.00 0.00 +0.044 A ATOM 34 C LIG 1 3.792 2.421 -2.052 0.00 0.00 +0.010 A BRANCH 32 35 ATOM 35 N LIG 1 6.765 1.120 -0.293 0.00 0.00 -0.315 N ATOM 36 C LIG 1 7.334 2.235 0.456 0.00 0.00 +0.106 C ATOM 37 C LIG 1 8.127 1.567 1.581 0.00 0.00 +0.020 C ATOM 38 C LIG 1 8.477 0.201 1.010 0.00 0.00 +0.020 C ATOM 39 C LIG 1 7.214 -0.165 0.236 0.00 0.00 +0.106 C ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 4 28 TORSDOF 10