REMARK Name = BDB026487 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.449 -1.353 -1.151 0.00 0.00 -0.280 N ATOM 2 C LIG 1 -1.701 -1.613 -1.723 0.00 0.00 +0.305 C ATOM 3 O LIG 1 -2.470 -2.497 -1.385 0.00 0.00 -0.252 OA ATOM 4 N LIG 1 -1.887 -0.688 -2.750 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -0.802 0.267 -2.788 0.00 0.00 +0.128 C ATOM 6 C LIG 1 0.291 -0.432 -1.992 0.00 0.00 +0.128 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 0.203 -2.329 -0.305 0.00 0.00 +0.144 C BRANCH 7 12 ATOM 8 C LIG 1 3.382 -1.268 1.499 0.00 0.00 +0.119 A ATOM 9 N LIG 1 2.907 -0.492 2.490 0.00 0.00 -0.240 NA ATOM 10 C LIG 1 1.569 -0.328 2.584 0.00 0.00 +0.113 A ATOM 11 C LIG 1 0.658 -0.904 1.719 0.00 0.00 +0.025 A ATOM 12 C LIG 1 1.145 -1.700 0.683 0.00 0.00 -0.025 A ATOM 13 C LIG 1 2.530 -1.876 0.578 0.00 0.00 +0.048 A BRANCH 8 14 ATOM 14 N LIG 1 4.767 -1.464 1.334 0.00 0.00 -0.326 N ATOM 15 H LIG 1 4.920 -2.470 1.297 0.00 0.00 +0.148 HD BRANCH 14 21 ATOM 16 C LIG 1 8.926 2.148 -0.449 0.00 0.00 +0.109 C ATOM 17 C LIG 1 8.940 0.704 -0.012 0.00 0.00 +0.212 C ATOM 18 N LIG 1 7.857 0.258 0.744 0.00 0.00 -0.302 N ATOM 19 C LIG 1 6.573 0.959 0.775 0.00 0.00 +0.109 C ATOM 20 C LIG 1 5.796 0.683 2.057 0.00 0.00 +0.041 C ATOM 21 C LIG 1 5.638 -0.817 2.330 0.00 0.00 +0.075 C ATOM 22 C LIG 1 7.023 -1.480 2.308 0.00 0.00 +0.041 C ATOM 23 C LIG 1 7.797 -1.172 1.031 0.00 0.00 +0.109 C ATOM 24 O LIG 1 9.890 -0.020 -0.311 0.00 0.00 -0.276 OA ENDBRANCH 14 21 ENDBRANCH 8 14 ENDBRANCH 7 12 ENDBRANCH 1 7 BRANCH 4 25 ATOM 25 C LIG 1 -3.123 -0.521 -3.505 0.00 0.00 +0.142 C BRANCH 25 26 ATOM 26 C LIG 1 -4.005 0.671 -3.076 0.00 0.00 +0.146 C BRANCH 26 27 ATOM 27 O LIG 1 -3.310 1.907 -3.314 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 -3.918 2.627 -3.076 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 -4.478 0.599 -1.607 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 -5.412 -0.509 -1.356 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 -5.415 -0.915 0.061 0.00 0.00 +0.120 C ATOM 32 C LIG 1 -6.188 0.011 0.977 0.00 0.00 -0.030 A ATOM 33 C LIG 1 -7.223 0.822 0.477 0.00 0.00 -0.042 A ATOM 34 C LIG 1 -7.951 1.638 1.353 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -7.668 1.635 2.718 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.656 0.820 3.219 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.513 0.860 -1.003 0.00 0.00 +0.051 C ATOM 38 C LIG 1 -5.922 0.008 2.354 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -6.792 -0.248 -1.789 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 9