REMARK Name = BDB047479 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.693 -2.379 -0.762 0.00 0.00 +0.068 C ATOM 2 C LIG 1 -0.012 -1.144 -0.158 0.00 0.00 +0.207 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -0.131 -1.266 1.387 0.00 0.00 +0.349 C ATOM 4 O LIG 1 0.210 -0.408 2.188 0.00 0.00 -0.246 OA BRANCH 3 5 ATOM 5 O LIG 1 -0.649 -2.442 1.828 0.00 0.00 -0.478 OA ATOM 6 H LIG 1 -0.922 -3.082 1.146 0.00 0.00 +0.295 HD ENDBRANCH 3 5 ENDBRANCH 2 3 BRANCH 2 7 ATOM 7 O LIG 1 0.615 0.044 -0.662 0.00 0.00 -0.474 OA BRANCH 7 8 ATOM 8 C LIG 1 1.925 0.354 -0.461 0.00 0.00 +0.122 A ATOM 9 C LIG 1 2.398 1.377 -1.292 0.00 0.00 +0.047 A ATOM 10 C LIG 1 3.723 1.813 -1.214 0.00 0.00 +0.023 A ATOM 11 C LIG 1 4.583 1.228 -0.292 0.00 0.00 +0.041 A ATOM 12 CL LIG 1 6.217 1.755 -0.188 0.00 0.00 -0.084 Cl ATOM 13 C LIG 1 4.124 0.219 0.550 0.00 0.00 +0.023 A ATOM 14 C LIG 1 2.795 -0.215 0.467 0.00 0.00 +0.047 A ENDBRANCH 7 8 ENDBRANCH 2 7 BRANCH 2 15 ATOM 15 C LIG 1 -1.456 -1.113 -0.746 0.00 0.00 +0.094 C BRANCH 15 16 ATOM 16 C LIG 1 -2.352 -0.005 -0.235 0.00 0.00 -0.043 A ATOM 17 C LIG 1 -2.257 1.288 -0.769 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -3.079 2.313 -0.298 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -4.004 2.058 0.711 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -4.107 0.777 1.250 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -3.287 -0.250 0.781 0.00 0.00 +0.004 A ENDBRANCH 15 16 ENDBRANCH 2 15 TORSDOF 6