REMARK Name = BDB052197 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.035 -1.530 0.565 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.588 -0.659 1.506 0.00 0.00 +0.050 A ATOM 3 C LIG 1 -1.978 -0.523 1.622 0.00 0.00 -0.027 A ATOM 4 C LIG 1 -2.806 -1.296 0.795 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -2.252 -2.182 -0.130 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.866 -2.301 -0.246 0.00 0.00 +0.045 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 1.330 -1.611 0.551 0.00 0.00 -0.486 OA BRANCH 7 8 ATOM 8 C LIG 1 1.902 -1.584 -0.765 0.00 0.00 +0.288 C BRANCH 8 11 ATOM 9 C LIG 1 4.219 -2.710 1.402 0.00 0.00 +0.088 C ATOM 10 C LIG 1 4.297 -1.858 0.203 0.00 0.00 +0.129 A ATOM 11 C LIG 1 3.377 -1.374 -0.704 0.00 0.00 +0.120 A ATOM 12 N LIG 1 4.033 -0.613 -1.652 0.00 0.00 -0.210 NA ATOM 13 C LIG 1 5.298 -0.641 -1.278 0.00 0.00 +0.228 A ATOM 14 O LIG 1 5.530 -1.393 -0.156 0.00 0.00 -0.440 OA BRANCH 13 15 ATOM 15 C LIG 1 6.454 0.015 -1.884 0.00 0.00 +0.037 A ATOM 16 C LIG 1 6.278 0.820 -3.021 0.00 0.00 +0.014 A ATOM 17 C LIG 1 7.363 1.472 -3.616 0.00 0.00 +0.021 A ATOM 18 C LIG 1 8.638 1.322 -3.078 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 9.975 2.126 -3.803 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 8.837 0.524 -1.953 0.00 0.00 +0.021 A ATOM 21 C LIG 1 7.749 -0.126 -1.359 0.00 0.00 +0.014 A ENDBRANCH 13 15 ENDBRANCH 8 11 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 -2.573 0.470 2.587 0.00 0.00 +0.147 C BRANCH 22 23 ATOM 23 N LIG 1 -2.969 1.710 1.915 0.00 0.00 -0.252 N ATOM 24 C LIG 1 -4.282 2.014 1.599 0.00 0.00 +0.404 C ATOM 25 O LIG 1 -4.610 3.054 1.044 0.00 0.00 -0.226 OA BRANCH 24 26 ATOM 26 O LIG 1 -5.141 1.015 1.919 0.00 0.00 -0.450 OA BRANCH 26 27 ATOM 27 C LIG 1 -6.516 1.228 1.565 0.00 0.00 +0.237 C BRANCH 27 28 ATOM 28 C LIG 1 -6.756 0.692 0.188 0.00 0.00 +0.027 C ATOM 29 C LIG 1 -8.090 0.094 -0.180 0.00 0.00 +0.007 C ATOM 30 C LIG 1 -6.881 -0.792 -0.045 0.00 0.00 +0.007 C ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 BRANCH 23 31 ATOM 31 C LIG 1 -1.940 2.731 1.669 0.00 0.00 +0.231 C BRANCH 31 32 ATOM 32 C LIG 1 -1.349 2.757 0.259 0.00 0.00 +0.322 C ATOM 33 O LIG 1 -0.454 3.524 -0.074 0.00 0.00 -0.249 OA BRANCH 32 34 ATOM 34 O LIG 1 -1.884 1.868 -0.605 0.00 0.00 -0.480 OA ATOM 35 H LIG 1 -2.571 1.324 -0.174 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 23 31 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 12