REMARK Name = BDB024058 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.204 1.696 2.682 0.00 0.00 +0.047 C ATOM 2 C LIG 1 1.945 0.580 1.709 0.00 0.00 -0.008 A ATOM 3 C LIG 1 2.985 -0.128 1.080 0.00 0.00 +0.128 A ATOM 4 C LIG 1 2.704 -1.238 0.268 0.00 0.00 -0.008 A ATOM 5 C LIG 1 3.780 -2.114 -0.307 0.00 0.00 +0.047 C ATOM 6 C LIG 1 1.363 -1.539 -0.027 0.00 0.00 +0.015 A ATOM 7 C LIG 1 0.315 -0.799 0.530 0.00 0.00 -0.024 A ATOM 8 C LIG 1 0.616 0.256 1.397 0.00 0.00 +0.015 A ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 -1.090 -1.082 0.214 0.00 0.00 +0.012 C ATOM 10 C LIG 1 -1.604 -2.321 0.246 0.00 0.00 +0.052 C BRANCH 10 11 ATOM 11 C LIG 1 -3.015 -2.668 -0.064 0.00 0.00 +0.189 C ATOM 12 O LIG 1 -3.324 -3.828 -0.318 0.00 0.00 -0.287 OA BRANCH 11 13 ATOM 13 C LIG 1 -4.044 -1.626 -0.129 0.00 0.00 +0.059 A ATOM 14 C LIG 1 -4.425 -0.861 0.959 0.00 0.00 +0.141 A ATOM 15 CL LIG 1 -3.774 -1.061 2.540 0.00 0.00 -0.061 Cl ATOM 16 N LIG 1 -5.364 0.112 0.905 0.00 0.00 -0.235 NA ATOM 17 C LIG 1 -5.987 0.322 -0.268 0.00 0.00 +0.073 A ATOM 18 C LIG 1 -5.692 -0.430 -1.428 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -6.377 -0.179 -2.628 0.00 0.00 +0.010 A ATOM 20 C LIG 1 -7.349 0.817 -2.687 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.641 1.562 -1.550 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -6.960 1.307 -0.356 0.00 0.00 +0.028 A ATOM 23 C LIG 1 -4.706 -1.421 -1.339 0.00 0.00 +0.024 A ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 7 9 BRANCH 3 24 ATOM 24 O LIG 1 4.271 0.239 1.352 0.00 0.00 -0.475 OA BRANCH 24 25 ATOM 25 C LIG 1 4.979 0.978 0.345 0.00 0.00 +0.200 C ATOM 26 C LIG 1 6.365 0.306 0.257 0.00 0.00 +0.067 C ATOM 27 C LIG 1 5.213 2.393 0.910 0.00 0.00 +0.067 C BRANCH 25 28 ATOM 28 C LIG 1 4.438 1.155 -1.111 0.00 0.00 +0.348 C ATOM 29 O LIG 1 5.039 0.809 -2.120 0.00 0.00 -0.247 OA BRANCH 28 30 ATOM 30 O LIG 1 3.236 1.775 -1.201 0.00 0.00 -0.478 OA ATOM 31 H LIG 1 2.810 1.938 -0.339 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 7