REMARK Name = BDB027044 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.647 -0.698 2.014 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.115 -2.143 1.857 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -2.692 -2.799 2.962 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.131 -4.121 2.866 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -3.001 -4.812 1.665 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.430 -4.182 0.562 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.990 -2.860 0.656 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -2.769 0.259 2.221 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -3.477 -0.195 2.795 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 -3.419 0.857 1.054 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 -4.122 -0.108 0.091 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 -6.280 2.034 -2.976 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -4.895 1.869 -3.075 0.00 0.00 +0.019 A ATOM 14 C LIG 1 -4.202 1.173 -2.083 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -4.885 0.633 -0.984 0.00 0.00 -0.046 A ATOM 16 C LIG 1 -6.271 0.805 -0.888 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -6.966 1.501 -1.880 0.00 0.00 +0.019 A BRANCH 12 19 ATOM 18 N LIG 1 -7.575 3.326 -4.816 0.00 0.00 -0.191 NA ATOM 19 C LIG 1 -6.994 2.748 -3.994 0.00 0.00 +0.099 C ENDBRANCH 12 19 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 -0.578 -0.250 0.976 0.00 0.00 +0.186 C ATOM 21 O LIG 1 -0.890 0.191 -0.133 0.00 0.00 -0.290 OA BRANCH 20 22 ATOM 22 C LIG 1 0.846 -0.431 1.314 0.00 0.00 +0.044 A ATOM 23 C LIG 1 1.975 0.103 0.604 0.00 0.00 +0.010 A ATOM 24 C LIG 1 3.129 -0.322 1.255 0.00 0.00 +0.049 A ATOM 25 C LIG 1 4.421 0.026 0.823 0.00 0.00 +0.049 A ATOM 26 C LIG 1 4.588 0.838 -0.313 0.00 0.00 +0.032 A ATOM 27 C LIG 1 3.423 1.265 -0.967 0.00 0.00 +0.024 A ATOM 28 N LIG 1 2.733 -1.097 2.317 0.00 0.00 -0.360 N ATOM 29 H LIG 1 3.366 -1.548 2.962 0.00 0.00 +0.165 HD ATOM 30 C LIG 1 2.132 0.916 -0.532 0.00 0.00 +0.012 A ATOM 31 C LIG 1 1.365 -1.174 2.362 0.00 0.00 +0.095 A BRANCH 26 32 ATOM 32 N LIG 1 5.840 1.196 -0.762 0.00 0.00 -0.330 N ATOM 33 C LIG 1 6.091 1.919 -2.006 0.00 0.00 +0.105 C ATOM 34 C LIG 1 7.602 1.811 -2.195 0.00 0.00 +0.020 C ATOM 35 C LIG 1 8.123 1.770 -0.770 0.00 0.00 +0.020 C ATOM 36 C LIG 1 7.083 0.916 -0.048 0.00 0.00 +0.105 C ENDBRANCH 26 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 9