REMARK Name = BDB023862 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.067 -0.428 0.422 0.00 0.00 +0.122 A ATOM 2 N LIG 1 1.822 -0.786 0.788 0.00 0.00 -0.240 NA ATOM 3 C LIG 1 0.778 -0.427 -0.002 0.00 0.00 +0.122 A ATOM 4 C LIG 1 0.877 0.324 -1.180 0.00 0.00 +0.010 A ATOM 5 C LIG 1 2.180 0.712 -1.540 0.00 0.00 -0.013 A ATOM 6 C LIG 1 2.380 1.477 -2.702 0.00 0.00 +0.009 A ATOM 7 C LIG 1 1.306 1.854 -3.507 0.00 0.00 +0.001 A ATOM 8 C LIG 1 0.013 1.477 -3.159 0.00 0.00 +0.011 A ATOM 9 C LIG 1 -0.217 0.718 -2.000 0.00 0.00 +0.012 A ATOM 10 C LIG 1 3.263 0.331 -0.729 0.00 0.00 +0.052 A ENDROOT BRANCH 9 11 ATOM 11 C LIG 1 -1.594 0.364 -1.670 0.00 0.00 +0.098 A ATOM 12 C LIG 1 -2.669 1.238 -1.370 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -2.719 2.721 -1.274 0.00 0.00 +0.146 C ATOM 14 N LIG 1 -4.020 3.157 -0.726 0.00 0.00 -0.297 N ATOM 15 C LIG 1 -5.216 2.382 -1.120 0.00 0.00 +0.114 C ATOM 16 C LIG 1 -5.104 0.882 -0.776 0.00 0.00 +0.074 C ATOM 17 C LIG 1 -4.216 4.430 -0.204 0.00 0.00 +0.213 C ATOM 18 O LIG 1 -5.333 4.881 0.053 0.00 0.00 -0.276 OA ATOM 19 C LIG 1 -2.987 5.264 0.062 0.00 0.00 +0.109 C ATOM 20 C LIG 1 -3.748 0.410 -1.150 0.00 0.00 +0.046 A ATOM 21 N LIG 1 -3.299 -0.867 -1.290 0.00 0.00 -0.264 N ATOM 22 N LIG 1 -1.990 -0.917 -1.615 0.00 0.00 -0.170 NA BRANCH 21 23 ATOM 23 C LIG 1 -4.037 -2.111 -1.082 0.00 0.00 +0.112 C ATOM 24 C LIG 1 -3.703 -2.708 0.292 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -4.035 -4.190 0.315 0.00 0.00 +0.162 C ATOM 26 O LIG 1 -3.350 -4.948 -0.680 0.00 0.00 -0.380 OA ATOM 27 C LIG 1 -2.844 -4.199 -1.787 0.00 0.00 +0.162 C ATOM 28 C LIG 1 -3.822 -3.121 -2.220 0.00 0.00 +0.055 C ENDBRANCH 21 23 ENDBRANCH 9 11 BRANCH 1 31 ATOM 29 C LIG 1 6.236 -1.409 2.007 0.00 0.00 +0.094 C ATOM 30 C LIG 1 5.499 -0.849 0.797 0.00 0.00 +0.119 C ATOM 31 N LIG 1 4.112 -0.793 1.248 0.00 0.00 -0.314 N ATOM 32 C LIG 1 3.849 -1.824 2.258 0.00 0.00 +0.107 C ATOM 33 C LIG 1 5.230 -2.368 2.638 0.00 0.00 +0.033 C BRANCH 29 37 ATOM 34 C LIG 1 5.979 1.669 4.239 0.00 0.00 +0.128 C ATOM 35 N LIG 1 5.684 0.528 3.411 0.00 0.00 -0.318 N ATOM 36 H LIG 1 4.799 0.516 2.906 0.00 0.00 +0.148 HD ATOM 37 C LIG 1 6.679 -0.306 2.958 0.00 0.00 +0.217 C ATOM 38 O LIG 1 7.855 -0.193 3.296 0.00 0.00 -0.275 OA ENDBRANCH 29 37 ENDBRANCH 1 31 TORSDOF 4