REMARK Name = BDB056705 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.045 -0.148 0.278 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.859 -1.018 -0.431 0.00 0.00 -0.268 N ATOM 3 C LIG 1 3.204 -0.774 -0.772 0.00 0.00 +0.062 A ATOM 4 C LIG 1 3.736 -1.839 -1.473 0.00 0.00 +0.092 A ATOM 5 N LIG 1 5.000 -1.877 -1.923 0.00 0.00 -0.152 NA ATOM 6 N LIG 1 5.796 -0.805 -1.668 0.00 0.00 -0.154 NA ATOM 7 C LIG 1 5.310 0.270 -0.985 0.00 0.00 +0.070 A ATOM 8 C LIG 1 2.725 -2.937 -1.687 0.00 0.00 +0.027 C ATOM 9 C LIG 1 3.203 -4.259 -1.082 0.00 0.00 +0.019 C ATOM 10 C LIG 1 2.413 -3.103 -3.177 0.00 0.00 +0.019 C ATOM 11 C LIG 1 4.001 0.318 -0.514 0.00 0.00 +0.050 A ATOM 12 C LIG 1 1.506 -2.368 -0.916 0.00 0.00 +0.126 C ATOM 13 O LIG 1 1.424 0.950 0.696 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -0.405 -0.602 0.539 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 -2.298 0.710 -3.876 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -2.478 0.806 -2.363 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -3.769 0.180 -2.014 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 -4.469 0.926 -1.912 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -3.695 -0.549 -0.742 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -2.763 0.070 0.335 0.00 0.00 +0.088 C ATOM 21 N LIG 1 -1.372 0.272 -0.153 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -1.268 0.174 -1.624 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -3.278 1.433 0.870 0.00 0.00 +0.128 C BRANCH 23 24 ATOM 24 N LIG 1 -4.599 1.376 1.476 0.00 0.00 -0.292 N ATOM 25 C LIG 1 -5.773 1.658 0.800 0.00 0.00 +0.247 C ATOM 26 O LIG 1 -5.912 1.998 -0.359 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 -6.864 1.440 1.755 0.00 0.00 +0.044 A ATOM 28 C LIG 1 -6.306 1.015 2.965 0.00 0.00 -0.018 A ATOM 29 C LIG 1 -7.119 0.732 4.048 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -8.500 0.884 3.886 0.00 0.00 +0.039 A ATOM 31 C LIG 1 -9.034 1.310 2.659 0.00 0.00 +0.124 A ATOM 32 F LIG 1 -10.362 1.443 2.540 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -8.222 1.596 1.569 0.00 0.00 +0.051 A ATOM 34 C LIG 1 -4.819 0.940 2.843 0.00 0.00 +0.144 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 35 ATOM 35 C LIG 1 6.268 1.404 -0.729 0.00 0.00 +0.095 C BRANCH 35 36 ATOM 36 C LIG 1 6.872 1.372 0.654 0.00 0.00 -0.006 A ATOM 37 C LIG 1 6.405 2.232 1.654 0.00 0.00 +0.130 A ATOM 38 F LIG 1 5.425 3.104 1.378 0.00 0.00 -0.205 F ATOM 39 C LIG 1 6.935 2.206 2.938 0.00 0.00 +0.077 A ATOM 40 C LIG 1 7.946 1.301 3.228 0.00 0.00 +0.126 A ATOM 41 F LIG 1 8.464 1.264 4.463 0.00 0.00 -0.205 F ATOM 42 C LIG 1 8.428 0.428 2.258 0.00 0.00 +0.039 A ATOM 43 C LIG 1 7.891 0.460 0.970 0.00 0.00 +0.009 A ENDBRANCH 35 36 ENDBRANCH 7 35 TORSDOF 6