REMARK Name = BDB040380 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.254 -0.854 -0.706 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -1.771 0.244 -1.398 0.00 0.00 +0.025 A ATOM 3 C LIG 1 -3.081 0.687 -1.169 0.00 0.00 +0.047 A ATOM 4 CL LIG 1 -3.602 2.033 -2.127 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 -3.918 0.056 -0.224 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -3.383 -1.061 0.456 0.00 0.00 +0.047 A ATOM 7 CL LIG 1 -4.288 -1.986 1.608 0.00 0.00 -0.083 Cl ATOM 8 C LIG 1 -2.071 -1.500 0.223 0.00 0.00 +0.025 A ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -5.335 0.568 0.027 0.00 0.00 +0.108 C ATOM 10 C LIG 1 -5.631 0.846 1.499 0.00 0.00 +0.227 C ATOM 11 O LIG 1 -4.797 1.304 2.278 0.00 0.00 -0.275 OA ATOM 12 N LIG 1 -6.925 0.637 1.912 0.00 0.00 -0.256 N ATOM 13 H LIG 1 -7.113 0.839 2.885 0.00 0.00 +0.157 HD ATOM 14 C LIG 1 -8.027 0.394 1.132 0.00 0.00 +0.219 C ATOM 15 O LIG 1 -9.157 0.404 1.612 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 -7.780 0.210 -0.345 0.00 0.00 +0.097 C ATOM 17 C LIG 1 -6.390 -0.346 -0.606 0.00 0.00 +0.027 C ENDBRANCH 5 9 BRANCH 1 18 ATOM 18 C LIG 1 0.166 -1.297 -0.928 0.00 0.00 +0.139 C BRANCH 18 20 ATOM 19 C LIG 1 2.446 -0.580 -0.372 0.00 0.00 +0.226 C ATOM 20 N LIG 1 1.079 -0.470 -0.176 0.00 0.00 -0.310 N ATOM 21 H LIG 1 0.728 -0.008 0.652 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 2.891 -1.335 -1.235 0.00 0.00 -0.275 OA BRANCH 19 23 ATOM 23 C LIG 1 3.318 0.284 0.563 0.00 0.00 +0.101 C ATOM 24 C LIG 1 3.110 -0.178 2.020 0.00 0.00 +0.029 C ATOM 25 C LIG 1 2.888 1.763 0.460 0.00 0.00 +0.029 C BRANCH 23 30 ATOM 26 C LIG 1 8.810 -0.304 -1.014 0.00 0.00 +0.047 C ATOM 27 C LIG 1 7.400 -0.121 -0.573 0.00 0.00 -0.014 A ATOM 28 C LIG 1 6.555 0.800 -1.151 0.00 0.00 +0.117 A ATOM 29 N LIG 1 5.265 0.962 -0.798 0.00 0.00 -0.239 NA ATOM 30 C LIG 1 4.786 0.144 0.163 0.00 0.00 +0.143 A ATOM 31 N LIG 1 5.535 -0.788 0.791 0.00 0.00 -0.239 NA ATOM 32 C LIG 1 6.818 -0.905 0.398 0.00 0.00 +0.117 A ENDBRANCH 23 30 ENDBRANCH 19 23 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 5