REMARK Name = BDB026009 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.739 0.547 0.352 0.00 0.00 +0.021 A ATOM 2 C LIG 1 0.243 1.728 0.921 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.088 2.696 1.312 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.124 1.961 1.087 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -2.057 1.008 0.683 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.575 -0.196 0.110 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.202 -0.417 -0.050 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.449 1.186 0.789 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -4.001 1.565 2.107 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.210 3.099 2.312 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.000 3.293 3.615 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.885 3.750 1.157 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -4.972 5.205 1.303 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.158 3.425 -0.092 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -4.062 1.909 -0.344 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 4.921 -0.146 -0.243 0.00 0.00 +0.121 A ATOM 17 N LIG 1 4.040 -0.406 -1.232 0.00 0.00 -0.240 NA ATOM 18 C LIG 1 2.722 -0.174 -1.007 0.00 0.00 +0.121 A ATOM 19 C LIG 1 2.183 0.316 0.180 0.00 0.00 +0.003 A ATOM 20 C LIG 1 3.106 0.564 1.196 0.00 0.00 +0.013 A ATOM 21 C LIG 1 4.469 0.330 0.986 0.00 0.00 +0.044 A BRANCH 16 28 ATOM 22 C LIG 1 9.382 1.839 -0.502 0.00 0.00 +0.039 C ATOM 23 C LIG 1 8.325 0.883 -1.042 0.00 0.00 +0.133 C ATOM 24 O LIG 1 9.002 -0.308 -1.469 0.00 0.00 -0.371 OA ATOM 25 C LIG 1 8.115 -1.402 -1.776 0.00 0.00 +0.133 C ATOM 26 C LIG 1 8.461 -2.554 -0.835 0.00 0.00 +0.039 C ATOM 27 C LIG 1 6.610 -1.048 -1.731 0.00 0.00 +0.137 C ATOM 28 N LIG 1 6.273 -0.399 -0.456 0.00 0.00 -0.310 N ATOM 29 C LIG 1 7.248 0.593 0.026 0.00 0.00 +0.137 C ENDBRANCH 16 28 ENDBRANCH 1 19 BRANCH 6 30 ATOM 30 N LIG 1 -2.568 -1.134 -0.245 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.500 -0.818 0.018 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -2.409 -2.370 -0.818 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -1.369 -2.912 -1.164 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.706 -3.083 -0.993 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -4.049 -4.268 -0.224 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -5.240 -4.859 -0.434 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -6.198 -4.334 -1.444 0.00 0.00 +0.252 A ATOM 38 O LIG 1 -7.270 -4.909 -1.600 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -5.784 -3.201 -2.141 0.00 0.00 -0.318 N ATOM 40 C LIG 1 -6.654 -2.641 -3.164 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -4.556 -2.602 -1.915 0.00 0.00 +0.102 A BRANCH 35 42 ATOM 42 C LIG 1 -3.075 -4.772 0.798 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -3.622 -5.745 1.578 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.967 -5.312 0.240 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -2.677 -3.792 1.647 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 6