REMARK Name = BDB006457 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.025 2.502 -2.283 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.392 1.865 -1.003 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.271 0.793 -0.328 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.461 0.499 0.824 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.077 -0.529 1.704 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.077 -1.259 1.408 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.839 -0.974 0.274 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.539 1.368 0.853 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.435 0.041 -0.607 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.501 2.209 -0.244 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.530 3.259 -0.498 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.059 -1.790 0.023 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.071 -1.179 -0.685 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -4.013 -0.191 -0.891 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -3.144 -2.929 0.468 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.327 -1.856 -0.970 0.00 0.00 +0.101 C ATOM 17 C LIG 1 -5.151 -2.801 -2.167 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -6.433 -0.816 -1.113 0.00 0.00 -0.017 A ATOM 19 C LIG 1 -7.009 -0.191 0.034 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -8.019 0.779 -0.184 0.00 0.00 +0.071 A ATOM 21 C LIG 1 -8.606 1.405 0.907 0.00 0.00 +0.028 A ATOM 22 C LIG 1 -8.230 1.114 2.219 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -7.239 0.175 2.452 0.00 0.00 +0.001 A ATOM 24 N LIG 1 -8.441 1.135 -1.406 0.00 0.00 -0.255 NA ATOM 25 C LIG 1 -7.870 0.543 -2.471 0.00 0.00 +0.112 A ATOM 26 C LIG 1 -6.634 -0.470 1.373 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -6.878 -0.413 -2.380 0.00 0.00 +0.026 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 2.539 1.416 1.922 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 3.868 0.820 1.522 0.00 0.00 -0.028 A ATOM 30 C LIG 1 5.053 1.525 1.772 0.00 0.00 +0.006 A ATOM 31 C LIG 1 6.295 0.978 1.434 0.00 0.00 +0.009 A ATOM 32 C LIG 1 6.393 -0.293 0.847 0.00 0.00 -0.018 A ATOM 33 C LIG 1 5.204 -0.999 0.613 0.00 0.00 +0.009 A ATOM 34 C LIG 1 3.959 -0.455 0.949 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 7.701 -0.867 0.492 0.00 0.00 -0.018 A ATOM 36 C LIG 1 8.606 -0.161 -0.319 0.00 0.00 +0.008 A ATOM 37 C LIG 1 9.848 -0.706 -0.656 0.00 0.00 +0.001 A ATOM 38 C LIG 1 10.207 -1.967 -0.188 0.00 0.00 +0.000 A ATOM 39 C LIG 1 9.326 -2.683 0.617 0.00 0.00 +0.001 A ATOM 40 C LIG 1 8.084 -2.138 0.953 0.00 0.00 +0.008 A ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 6