REMARK Name = BDB006419 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.260 -1.760 -2.589 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.461 -1.626 -1.339 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.860 -0.958 -0.140 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.190 -1.063 0.775 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.115 -0.490 2.057 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.053 0.190 2.414 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.124 0.294 1.526 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.201 -1.777 0.152 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -2.030 -0.264 0.242 0.00 0.00 +0.023 A ATOM 10 C LIG 1 0.813 -2.134 -1.126 0.00 0.00 +0.020 A ATOM 11 C LIG 1 1.686 -2.909 -2.054 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.343 1.026 1.973 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.529 0.655 1.376 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -4.549 -0.226 0.878 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -3.264 1.880 2.849 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.811 1.185 1.820 0.00 0.00 +0.103 C ATOM 17 C LIG 1 -6.288 0.498 3.104 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -6.877 1.114 0.731 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -7.119 -0.047 -0.036 0.00 0.00 +0.047 A ATOM 20 CL LIG 1 -6.230 -1.521 0.174 0.00 0.00 -0.083 Cl ATOM 21 C LIG 1 -8.114 -0.078 -1.024 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -8.904 1.038 -1.267 0.00 0.00 +0.003 A ATOM 23 C LIG 1 -8.705 2.188 -0.512 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -7.712 2.226 0.477 0.00 0.00 +0.047 A ATOM 25 CL LIG 1 -7.604 3.705 1.373 0.00 0.00 -0.083 Cl ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 26 ATOM 26 C LIG 1 2.471 -2.140 0.784 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 3.637 -1.319 0.287 0.00 0.00 -0.028 A ATOM 28 C LIG 1 3.598 0.082 0.276 0.00 0.00 +0.006 A ATOM 29 C LIG 1 4.699 0.823 -0.165 0.00 0.00 +0.009 A ATOM 30 C LIG 1 5.876 0.192 -0.595 0.00 0.00 -0.018 A ATOM 31 C LIG 1 5.914 -1.210 -0.567 0.00 0.00 +0.009 A ATOM 32 C LIG 1 4.814 -1.956 -0.129 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 7.032 0.975 -1.061 0.00 0.00 -0.018 A ATOM 34 C LIG 1 6.893 1.940 -2.073 0.00 0.00 +0.008 A ATOM 35 C LIG 1 7.990 2.684 -2.516 0.00 0.00 +0.001 A ATOM 36 C LIG 1 9.246 2.476 -1.953 0.00 0.00 +0.000 A ATOM 37 C LIG 1 9.407 1.526 -0.948 0.00 0.00 +0.001 A ATOM 38 C LIG 1 8.309 0.781 -0.507 0.00 0.00 +0.008 A ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 6