REMARK Name = BDB040378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.732 -0.617 1.367 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.849 0.769 1.234 0.00 0.00 +0.025 A ATOM 3 C LIG 1 -2.033 1.348 0.758 0.00 0.00 +0.047 A ATOM 4 CL LIG 1 -2.055 3.080 0.695 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 -3.141 0.560 0.379 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -3.007 -0.838 0.527 0.00 0.00 +0.047 A ATOM 7 CL LIG 1 -4.286 -1.950 0.165 0.00 0.00 -0.083 Cl ATOM 8 C LIG 1 -1.819 -1.413 1.003 0.00 0.00 +0.025 A ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -4.418 1.212 -0.147 0.00 0.00 +0.108 C ATOM 10 C LIG 1 -4.896 0.642 -1.480 0.00 0.00 +0.227 C ATOM 11 O LIG 1 -4.131 0.294 -2.378 0.00 0.00 -0.275 OA ATOM 12 N LIG 1 -6.256 0.611 -1.679 0.00 0.00 -0.256 N ATOM 13 H LIG 1 -6.558 0.246 -2.572 0.00 0.00 +0.157 HD ATOM 14 C LIG 1 -7.228 1.215 -0.924 0.00 0.00 +0.219 C ATOM 15 O LIG 1 -8.390 1.274 -1.316 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 -6.775 1.876 0.354 0.00 0.00 +0.097 C ATOM 17 C LIG 1 -5.529 1.205 0.910 0.00 0.00 +0.027 C ENDBRANCH 5 9 BRANCH 1 18 ATOM 18 C LIG 1 0.550 -1.239 1.845 0.00 0.00 +0.139 C BRANCH 18 20 ATOM 19 C LIG 1 2.638 -2.132 0.925 0.00 0.00 +0.225 C ATOM 20 N LIG 1 1.464 -1.427 0.747 0.00 0.00 -0.310 N ATOM 21 H LIG 1 1.474 -0.712 0.021 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 2.877 -2.738 1.969 0.00 0.00 -0.275 OA BRANCH 19 23 ATOM 23 C LIG 1 3.619 -2.101 -0.272 0.00 0.00 +0.085 C ATOM 24 C LIG 1 4.800 -3.047 0.032 0.00 0.00 +0.027 C ATOM 25 C LIG 1 2.911 -2.661 -1.527 0.00 0.00 +0.027 C BRANCH 23 30 ATOM 26 C LIG 1 4.812 3.456 -1.196 0.00 0.00 +0.067 C ATOM 27 C LIG 1 4.577 2.002 -0.940 0.00 0.00 +0.061 A ATOM 28 N LIG 1 3.366 1.497 -1.243 0.00 0.00 -0.154 NA ATOM 29 N LIG 1 3.106 0.170 -1.031 0.00 0.00 -0.153 NA ATOM 30 C LIG 1 4.050 -0.656 -0.514 0.00 0.00 +0.078 A ATOM 31 C LIG 1 5.300 -0.149 -0.183 0.00 0.00 +0.028 A ATOM 32 C LIG 1 5.569 1.199 -0.405 0.00 0.00 +0.026 A ENDBRANCH 23 30 ENDBRANCH 19 23 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 5