REMARK Name = BDB006150 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.572 0.854 0.125 0.00 0.00 +0.146 C ATOM 2 N LIG 1 -1.931 0.217 -1.173 0.00 0.00 -0.254 N ATOM 3 C LIG 1 -0.799 -0.371 -1.800 0.00 0.00 +0.272 C ATOM 4 O LIG 1 -0.670 -0.814 -2.930 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 0.249 -0.286 -0.802 0.00 0.00 +0.153 A ATOM 6 N LIG 1 1.496 -0.724 -0.702 0.00 0.00 -0.165 NA ATOM 7 N LIG 1 1.896 -0.246 0.514 0.00 0.00 -0.258 N ATOM 8 C LIG 1 0.884 0.423 1.201 0.00 0.00 +0.048 A ATOM 9 C LIG 1 -0.178 0.400 0.323 0.00 0.00 +0.031 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -2.127 -2.097 1.069 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -2.663 -0.874 1.764 0.00 0.00 -0.044 A ATOM 12 C LIG 1 -2.398 0.451 1.337 0.00 0.00 -0.019 A ATOM 13 C LIG 1 -2.947 1.514 2.095 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -3.725 1.285 3.231 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -3.971 -0.016 3.638 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -4.923 -0.311 5.040 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -3.447 -1.085 2.918 0.00 0.00 +0.023 A ENDBRANCH 1 12 BRANCH 2 18 ATOM 18 C LIG 1 -3.198 0.430 -1.802 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -3.795 -0.485 -2.701 0.00 0.00 -0.029 A ATOM 20 C LIG 1 -3.250 -1.848 -3.042 0.00 0.00 +0.045 C ATOM 21 C LIG 1 -5.023 -0.155 -3.319 0.00 0.00 +0.006 A ATOM 22 C LIG 1 -5.691 1.028 -3.022 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -5.137 1.899 -2.100 0.00 0.00 +0.043 A ATOM 24 CL LIG 1 -5.954 3.362 -1.706 0.00 0.00 -0.083 Cl ATOM 25 C LIG 1 -3.912 1.607 -1.497 0.00 0.00 +0.043 A ENDBRANCH 2 18 BRANCH 8 26 ATOM 26 C LIG 1 0.943 1.015 2.583 0.00 0.00 +0.032 C ATOM 27 C LIG 1 2.063 2.031 2.776 0.00 0.00 +0.014 C ATOM 28 C LIG 1 0.950 -0.061 3.667 0.00 0.00 +0.014 C ENDBRANCH 8 26 BRANCH 7 29 ATOM 29 C LIG 1 3.245 -0.576 0.935 0.00 0.00 +0.239 C BRANCH 29 30 ATOM 30 C LIG 1 4.271 0.319 0.270 0.00 0.00 +0.237 C ATOM 31 N LIG 1 4.956 -0.159 -0.827 0.00 0.00 -0.300 N ATOM 32 C LIG 1 4.732 -1.411 -1.536 0.00 0.00 +0.108 C ATOM 33 C LIG 1 5.866 -1.475 -2.550 0.00 0.00 +0.020 C ATOM 34 C LIG 1 6.105 -0.008 -2.879 0.00 0.00 +0.020 C ATOM 35 C LIG 1 5.912 0.678 -1.534 0.00 0.00 +0.108 C ATOM 36 O LIG 1 4.500 1.446 0.722 0.00 0.00 -0.274 OA ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 5