REMARK Name = BDB027033 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.409 -1.746 0.927 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.083 -3.148 1.435 0.00 0.00 -0.023 A ATOM 3 C LIG 1 0.486 -3.343 2.691 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.203 -4.630 3.152 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.523 -5.737 2.370 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.132 -5.560 1.129 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.416 -4.274 0.665 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 9 ATOM 8 O LIG 1 -0.059 -0.076 1.941 0.00 0.00 -0.290 OA ATOM 9 C LIG 1 0.151 -0.830 0.987 0.00 0.00 +0.186 C BRANCH 9 10 ATOM 10 C LIG 1 -0.800 -0.877 -0.138 0.00 0.00 +0.044 A ATOM 11 C LIG 1 -1.936 -0.019 -0.343 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -2.557 -0.411 -1.528 0.00 0.00 +0.049 A ATOM 13 C LIG 1 -3.702 0.218 -2.035 0.00 0.00 +0.054 A ATOM 14 C LIG 1 -4.243 1.295 -1.309 0.00 0.00 +0.067 A ATOM 15 C LIG 1 -3.641 1.710 -0.116 0.00 0.00 +0.028 A ATOM 16 N LIG 1 -1.842 -1.470 -2.029 0.00 0.00 -0.360 N ATOM 17 H LIG 1 -2.076 -1.964 -2.880 0.00 0.00 +0.165 HD ATOM 18 C LIG 1 -2.495 1.062 0.370 0.00 0.00 +0.013 A ATOM 19 C LIG 1 -0.781 -1.756 -1.209 0.00 0.00 +0.095 A BRANCH 14 20 ATOM 20 N LIG 1 -5.407 1.947 -1.811 0.00 0.00 -0.240 N ATOM 21 N LIG 1 -5.988 1.544 -2.974 0.00 0.00 -0.175 NA ATOM 22 C LIG 1 -7.031 2.359 -3.135 0.00 0.00 +0.135 A ATOM 23 C LIG 1 -7.147 3.293 -2.098 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -6.095 3.010 -1.260 0.00 0.00 +0.114 A ENDBRANCH 14 20 ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 1 25 ATOM 25 N LIG 1 2.542 -1.192 1.718 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 3.145 -1.971 1.985 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 3.358 -0.216 0.985 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 2.693 1.149 0.758 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 3.652 2.132 0.126 0.00 0.00 -0.046 A ATOM 30 C LIG 1 4.500 2.909 0.930 0.00 0.00 +0.006 A ATOM 31 C LIG 1 5.399 3.803 0.347 0.00 0.00 +0.038 A ATOM 32 C LIG 1 5.451 3.918 -1.037 0.00 0.00 +0.123 A ATOM 33 F LIG 1 6.315 4.776 -1.596 0.00 0.00 -0.205 F ATOM 34 C LIG 1 4.622 3.155 -1.850 0.00 0.00 +0.038 A ATOM 35 C LIG 1 3.722 2.260 -1.270 0.00 0.00 +0.006 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 8