REMARK Name = BDB047025 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.995 -1.305 0.446 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -1.530 -0.476 1.476 0.00 0.00 -0.490 OA BRANCH 2 7 ATOM 3 C LIG 1 -5.085 1.697 0.989 0.00 0.00 -0.043 A ATOM 4 C LIG 1 -4.478 1.549 2.240 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -3.292 0.817 2.368 0.00 0.00 +0.083 A ATOM 6 CL LIG 1 -2.599 0.677 3.949 0.00 0.00 -0.080 Cl ATOM 7 C LIG 1 -2.692 0.211 1.252 0.00 0.00 +0.139 A ATOM 8 C LIG 1 -3.301 0.365 0.004 0.00 0.00 +0.047 A ATOM 9 C LIG 1 -4.488 1.097 -0.125 0.00 0.00 +0.007 A BRANCH 3 10 ATOM 10 C LIG 1 -6.377 2.473 0.846 0.00 0.00 +0.078 C BRANCH 10 11 ATOM 11 C LIG 1 -7.611 1.557 0.875 0.00 0.00 +0.230 C BRANCH 11 13 ATOM 12 C LIG 1 -8.577 -0.213 -0.385 0.00 0.00 +0.195 C ATOM 13 O LIG 1 -7.712 0.915 -0.402 0.00 0.00 -0.368 OA ENDBRANCH 11 13 BRANCH 11 14 ATOM 14 C LIG 1 -8.838 2.411 1.213 0.00 0.00 +0.334 C ATOM 15 O LIG 1 -9.794 2.659 0.497 0.00 0.00 -0.248 OA BRANCH 14 16 ATOM 16 O LIG 1 -8.812 2.882 2.480 0.00 0.00 -0.479 OA ATOM 17 H LIG 1 -9.651 3.386 2.559 0.00 0.00 +0.295 HD ENDBRANCH 14 16 ENDBRANCH 11 14 ENDBRANCH 10 11 ENDBRANCH 3 10 ENDBRANCH 2 7 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 0.005 -0.528 -0.402 0.00 0.00 +0.082 C BRANCH 18 19 ATOM 19 C LIG 1 0.660 -1.425 -1.444 0.00 0.00 +0.232 C BRANCH 19 20 ATOM 20 O LIG 1 1.526 -0.667 -2.289 0.00 0.00 -0.492 OA BRANCH 20 21 ATOM 21 C LIG 1 2.839 -0.531 -1.938 0.00 0.00 +0.121 A ATOM 22 C LIG 1 3.636 0.084 -2.909 0.00 0.00 +0.046 A ATOM 23 C LIG 1 4.999 0.293 -2.688 0.00 0.00 +0.015 A ATOM 24 C LIG 1 5.582 -0.122 -1.488 0.00 0.00 +0.022 A ATOM 25 C LIG 1 4.784 -0.711 -0.500 0.00 0.00 +0.015 A ATOM 26 C LIG 1 3.418 -0.918 -0.728 0.00 0.00 +0.046 A BRANCH 24 27 ATOM 27 C LIG 1 7.031 0.125 -1.279 0.00 0.00 +0.193 C ATOM 28 O LIG 1 7.543 1.131 -1.762 0.00 0.00 -0.287 OA BRANCH 27 29 ATOM 29 C LIG 1 7.875 -0.817 -0.501 0.00 0.00 +0.022 A ATOM 30 C LIG 1 7.675 -2.202 -0.557 0.00 0.00 +0.012 A ATOM 31 C LIG 1 8.499 -3.055 0.180 0.00 0.00 +0.001 A ATOM 32 C LIG 1 9.528 -2.529 0.962 0.00 0.00 +0.000 A ATOM 33 C LIG 1 9.744 -1.152 1.002 0.00 0.00 +0.001 A ATOM 34 C LIG 1 8.923 -0.296 0.266 0.00 0.00 +0.012 A ENDBRANCH 27 29 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 13