REMARK Name = BDB053277 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.702 0.515 -1.676 0.00 0.00 +0.065 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.608 0.170 -2.804 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -0.773 0.356 -1.722 0.00 0.00 +0.084 A ATOM 4 N LIG 1 -1.515 0.362 -0.562 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 -2.760 0.194 -0.969 0.00 0.00 +0.228 A ATOM 6 O LIG 1 -2.887 0.066 -2.328 0.00 0.00 -0.440 OA BRANCH 5 7 ATOM 7 C LIG 1 -3.988 0.122 -0.183 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -5.240 -0.076 -0.773 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -6.405 -0.141 0.005 0.00 0.00 +0.005 A ATOM 10 C LIG 1 -6.359 -0.011 1.402 0.00 0.00 -0.042 A ATOM 11 C LIG 1 -5.093 0.188 1.985 0.00 0.00 +0.005 A ATOM 12 C LIG 1 -3.930 0.254 1.208 0.00 0.00 +0.013 A BRANCH 10 13 ATOM 13 C LIG 1 -7.616 -0.077 2.287 0.00 0.00 -0.013 C ATOM 14 C LIG 1 -7.484 -1.243 3.290 0.00 0.00 +0.015 C ATOM 15 C LIG 1 -8.925 -0.301 1.496 0.00 0.00 +0.015 C ATOM 16 C LIG 1 -7.773 1.247 3.065 0.00 0.00 +0.015 C ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 2 18 ATOM 17 C LIG 1 -2.153 1.173 -5.015 0.00 0.00 +0.015 C ATOM 18 C LIG 1 -1.409 0.061 -4.276 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -1.840 -1.314 -4.785 0.00 0.00 +0.015 C ENDBRANCH 2 18 ENDBRANCH 1 3 BRANCH 1 20 ATOM 20 C LIG 1 1.404 -0.816 -1.412 0.00 0.00 +0.066 C BRANCH 20 21 ATOM 21 C LIG 1 2.883 -0.660 -1.355 0.00 0.00 +0.092 A ATOM 22 C LIG 1 3.696 -0.397 -0.223 0.00 0.00 +0.045 A ATOM 23 C LIG 1 4.976 -0.343 -0.741 0.00 0.00 +0.171 A ATOM 24 C LIG 1 6.129 -0.104 0.009 0.00 0.00 +0.095 A ATOM 25 C LIG 1 5.948 0.090 1.380 0.00 0.00 +0.126 A ATOM 26 C LIG 1 4.658 0.051 1.933 0.00 0.00 +0.046 A ATOM 27 O LIG 1 4.928 -0.557 -2.083 0.00 0.00 -0.354 OA ATOM 28 C LIG 1 3.517 -0.192 1.152 0.00 0.00 +0.017 A ATOM 29 N LIG 1 3.613 -0.758 -2.475 0.00 0.00 -0.082 NA BRANCH 25 30 ATOM 30 O LIG 1 6.925 0.340 2.302 0.00 0.00 -0.475 OA BRANCH 30 31 ATOM 31 C LIG 1 8.322 0.261 1.998 0.00 0.00 +0.200 C ATOM 32 C LIG 1 9.008 0.670 3.316 0.00 0.00 +0.067 C ATOM 33 C LIG 1 8.730 -1.188 1.688 0.00 0.00 +0.067 C BRANCH 31 34 ATOM 34 C LIG 1 8.831 1.269 0.949 0.00 0.00 +0.348 C ATOM 35 O LIG 1 8.256 2.269 0.548 0.00 0.00 -0.247 OA BRANCH 34 36 ATOM 36 O LIG 1 10.066 0.988 0.480 0.00 0.00 -0.478 OA ATOM 37 H LIG 1 10.252 1.722 -0.143 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 31 34 ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 10