REMARK Name = BDB039211 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.341 -1.029 -0.565 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.375 -0.058 -0.370 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.029 -0.513 -0.040 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.967 0.554 -0.116 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.280 1.901 -0.412 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.270 2.869 -0.492 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.930 2.549 -0.256 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.631 1.216 0.057 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.550 0.546 0.344 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.231 -0.779 0.586 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.068 -0.971 0.455 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.709 2.286 -0.703 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.615 0.239 0.129 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.699 1.326 -0.049 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.105 -2.230 -0.624 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.189 -1.885 0.944 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.781 -2.557 2.274 0.00 0.00 +0.011 C ATOM 18 C LIG 1 0.022 -3.835 2.060 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -0.761 -4.874 1.255 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -1.750 -4.261 0.263 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -1.290 -2.892 -0.220 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 8.615 -1.480 -0.896 0.00 0.00 +0.282 C ATOM 23 O LIG 1 7.593 -0.506 -0.687 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -1.868 1.188 0.359 0.00 0.00 +0.090 C ATOM 25 C LIG 1 -2.457 1.257 1.772 0.00 0.00 +0.031 C BRANCH 24 26 ATOM 26 C LIG 1 -2.823 0.596 -0.696 0.00 0.00 +0.060 C BRANCH 26 27 ATOM 27 C LIG 1 -3.940 1.540 -1.082 0.00 0.00 -0.045 A ATOM 28 C LIG 1 -5.210 1.421 -0.501 0.00 0.00 +0.018 A ATOM 29 C LIG 1 -6.235 2.305 -0.856 0.00 0.00 +0.059 A ATOM 30 C LIG 1 -6.010 3.296 -1.818 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -4.747 3.421 -2.397 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -3.717 2.552 -2.027 0.00 0.00 +0.004 A BRANCH 29 33 ATOM 33 C LIG 1 -7.560 2.136 -0.215 0.00 0.00 +0.337 C ATOM 34 O LIG 1 -8.038 1.046 0.044 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 -8.153 3.307 0.097 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 -7.586 4.093 -0.010 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 9 24 TORSDOF 7