REMARK Name = BDB055887 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.569 -1.630 0.220 0.00 0.00 +0.209 C ATOM 2 C LIG 1 -0.479 -2.702 0.625 0.00 0.00 +0.245 C ATOM 3 O LIG 1 -0.177 -3.896 0.649 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.736 -2.243 1.005 0.00 0.00 -0.292 N ATOM 5 C LIG 1 -2.767 -3.209 1.345 0.00 0.00 +0.133 C ATOM 6 C LIG 1 -2.153 -0.859 0.722 0.00 0.00 +0.139 C ATOM 7 C LIG 1 -0.941 0.112 0.817 0.00 0.00 +0.174 C ATOM 8 O LIG 1 0.102 -0.312 -0.070 0.00 0.00 -0.357 OA ENDROOT BRANCH 6 9 ATOM 9 C LIG 1 -2.949 -0.758 -0.579 0.00 0.00 -0.024 A ATOM 10 C LIG 1 -4.227 -0.171 -0.561 0.00 0.00 +0.006 A ATOM 11 C LIG 1 -4.977 -0.048 -1.734 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -4.457 -0.514 -2.937 0.00 0.00 +0.018 A ATOM 13 BR LIG 1 -5.469 -0.347 -4.525 0.00 0.00 -0.050 Br ATOM 14 C LIG 1 -3.195 -1.100 -2.979 0.00 0.00 +0.015 A ATOM 15 C LIG 1 -2.445 -1.220 -1.806 0.00 0.00 +0.006 A ENDBRANCH 6 9 BRANCH 7 16 ATOM 16 C LIG 1 -1.294 1.568 0.568 0.00 0.00 -0.017 A ATOM 17 C LIG 1 -1.100 2.169 -0.687 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -1.458 3.501 -0.904 0.00 0.00 +0.015 A ATOM 19 C LIG 1 -2.012 4.245 0.133 0.00 0.00 +0.018 A ATOM 20 BR LIG 1 -2.499 6.048 -0.160 0.00 0.00 -0.050 Br ATOM 21 C LIG 1 -2.212 3.670 1.386 0.00 0.00 +0.015 A ATOM 22 C LIG 1 -1.856 2.336 1.601 0.00 0.00 +0.007 A ENDBRANCH 7 16 BRANCH 1 23 ATOM 23 C LIG 1 1.679 -1.598 1.291 0.00 0.00 +0.076 C BRANCH 23 27 ATOM 24 C LIG 1 5.373 0.069 -0.231 0.00 0.00 +0.120 A ATOM 25 C LIG 1 4.337 0.910 0.172 0.00 0.00 +0.046 A ATOM 26 C LIG 1 3.145 0.372 0.668 0.00 0.00 +0.007 A ATOM 27 C LIG 1 2.973 -1.015 0.769 0.00 0.00 -0.044 A ATOM 28 C LIG 1 4.014 -1.855 0.358 0.00 0.00 +0.007 A ATOM 29 C LIG 1 5.203 -1.314 -0.135 0.00 0.00 +0.046 A BRANCH 24 31 ATOM 30 C LIG 1 6.799 1.863 -0.861 0.00 0.00 +0.277 C ATOM 31 O LIG 1 6.584 0.463 -0.732 0.00 0.00 -0.495 OA ENDBRANCH 24 31 ENDBRANCH 23 27 ENDBRANCH 1 23 TORSDOF 5