REMARK Name = BDB005927 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.119 0.550 -0.879 0.00 0.00 -0.310 N ATOM 2 C LIG 1 -0.195 1.768 -0.219 0.00 0.00 +0.098 A ATOM 3 C LIG 1 1.133 2.024 0.126 0.00 0.00 +0.095 A ATOM 4 C LIG 1 1.486 3.135 0.890 0.00 0.00 +0.061 A ATOM 5 C LIG 1 0.444 3.944 1.286 0.00 0.00 +0.112 A ATOM 6 N LIG 1 -0.846 3.726 0.940 0.00 0.00 -0.240 NA ATOM 7 N LIG 1 1.978 1.083 -0.379 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 -1.209 2.668 0.150 0.00 0.00 +0.117 A ATOM 9 C LIG 1 1.217 0.185 -0.947 0.00 0.00 +0.200 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 0.671 5.135 2.139 0.00 0.00 +0.201 A ATOM 11 N LIG 1 1.907 5.589 2.404 0.00 0.00 -0.270 N ATOM 12 H LIG 1 2.804 5.266 2.089 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 1.764 6.674 3.179 0.00 0.00 +0.440 A ATOM 14 O LIG 1 2.675 7.364 3.608 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 0.429 6.878 3.406 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -0.258 5.843 2.697 0.00 0.00 -0.053 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 -2.623 2.623 -0.222 0.00 0.00 +0.109 A ATOM 18 N LIG 1 -2.941 2.282 -1.501 0.00 0.00 -0.250 NA ATOM 19 C LIG 1 -4.257 2.317 -1.821 0.00 0.00 +0.131 A ATOM 20 C LIG 1 -5.239 2.658 -0.910 0.00 0.00 +0.130 A ATOM 21 N LIG 1 -4.950 2.991 0.364 0.00 0.00 -0.260 NA ATOM 22 C LIG 1 -3.627 2.986 0.676 0.00 0.00 +0.140 A ENDBRANCH 8 17 BRANCH 9 23 ATOM 23 N LIG 1 1.616 -0.933 -1.608 0.00 0.00 -0.289 N ATOM 24 C LIG 1 2.453 -1.961 -0.908 0.00 0.00 +0.132 C ATOM 25 C LIG 1 3.335 -2.747 -1.924 0.00 0.00 +0.187 C ATOM 26 O LIG 1 4.142 -1.945 -2.802 0.00 0.00 -0.376 OA ATOM 27 C LIG 1 3.526 -0.703 -3.173 0.00 0.00 +0.179 C ATOM 28 C LIG 1 2.005 -0.701 -3.015 0.00 0.00 +0.136 C BRANCH 24 29 ATOM 29 C LIG 1 3.230 -1.504 0.327 0.00 0.00 -0.025 A ATOM 30 C LIG 1 2.648 -1.648 1.601 0.00 0.00 +0.005 A ATOM 31 C LIG 1 3.328 -1.254 2.757 0.00 0.00 +0.000 A ATOM 32 C LIG 1 4.605 -0.711 2.662 0.00 0.00 +0.000 A ATOM 33 C LIG 1 5.200 -0.560 1.413 0.00 0.00 +0.000 A ATOM 34 C LIG 1 4.519 -0.953 0.256 0.00 0.00 +0.005 A ENDBRANCH 24 29 ENDBRANCH 9 23 BRANCH 1 35 ATOM 35 C LIG 1 -1.208 -0.262 -1.396 0.00 0.00 +0.128 C BRANCH 35 40 ATOM 36 C LIG 1 -3.395 -4.645 1.152 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -3.006 -3.791 -0.056 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -1.541 -3.326 0.033 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -1.425 -1.904 0.571 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -2.140 -0.876 -0.330 0.00 0.00 +0.009 C ATOM 41 C LIG 1 -3.373 -1.487 -1.028 0.00 0.00 +0.005 C ATOM 42 C LIG 1 -3.988 -2.617 -0.211 0.00 0.00 +0.003 C ENDBRANCH 35 40 ENDBRANCH 1 35 TORSDOF 6