REMARK Name = BDB027037 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.093 -1.531 0.217 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.838 -2.186 1.569 0.00 0.00 -0.023 A ATOM 3 C LIG 1 1.125 -1.470 2.745 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.896 -2.035 4.001 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.397 -3.330 4.101 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.137 -4.065 2.947 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.364 -3.503 1.689 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 2.517 -1.769 -0.159 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 2.542 -2.715 -0.556 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 3.000 -0.833 -1.182 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 3.459 0.500 -0.571 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 4.874 3.205 -3.624 0.00 0.00 +0.052 A ATOM 13 C LIG 1 3.527 3.215 -3.248 0.00 0.00 +0.019 A ATOM 14 C LIG 1 3.070 2.338 -2.260 0.00 0.00 +0.005 A ATOM 15 C LIG 1 3.956 1.456 -1.629 0.00 0.00 -0.046 A ATOM 16 C LIG 1 5.305 1.455 -2.007 0.00 0.00 +0.005 A ATOM 17 C LIG 1 5.760 2.319 -3.005 0.00 0.00 +0.019 A BRANCH 12 19 ATOM 18 N LIG 1 5.707 4.817 -5.480 0.00 0.00 -0.191 NA ATOM 19 C LIG 1 5.340 4.099 -4.645 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 0.143 -2.055 -0.892 0.00 0.00 +0.186 C ATOM 21 O LIG 1 0.562 -2.884 -1.711 0.00 0.00 -0.290 OA BRANCH 20 22 ATOM 22 C LIG 1 -1.255 -1.595 -0.972 0.00 0.00 +0.044 A ATOM 23 C LIG 1 -2.029 -0.676 -0.177 0.00 0.00 +0.010 A ATOM 24 C LIG 1 -3.325 -0.659 -0.702 0.00 0.00 +0.049 A ATOM 25 C LIG 1 -4.371 0.114 -0.166 0.00 0.00 +0.052 A ATOM 26 C LIG 1 -4.106 0.914 0.955 0.00 0.00 +0.049 A ATOM 27 C LIG 1 -2.820 0.925 1.503 0.00 0.00 +0.027 A ATOM 28 N LIG 1 -3.345 -1.511 -1.779 0.00 0.00 -0.360 N ATOM 29 H LIG 1 -4.163 -1.713 -2.339 0.00 0.00 +0.165 HD ATOM 30 C LIG 1 -1.790 0.145 0.948 0.00 0.00 +0.013 A ATOM 31 C LIG 1 -2.116 -2.075 -1.948 0.00 0.00 +0.095 A BRANCH 26 32 ATOM 32 N LIG 1 -5.144 1.708 1.530 0.00 0.00 -0.306 N ATOM 33 C LIG 1 -5.035 2.603 2.574 0.00 0.00 +0.204 A ATOM 34 N LIG 1 -6.178 3.185 2.869 0.00 0.00 -0.244 NA ATOM 35 C LIG 1 -7.081 2.655 1.993 0.00 0.00 +0.130 A ATOM 36 C LIG 1 -6.476 1.741 1.164 0.00 0.00 +0.112 A ENDBRANCH 26 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 9