REMARK Name = BDB017504 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.010 1.738 -1.381 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.957 0.771 -1.696 0.00 0.00 -0.269 N ATOM 3 C LIG 1 2.159 0.547 -0.996 0.00 0.00 +0.041 A ATOM 4 C LIG 1 2.879 -0.497 -1.582 0.00 0.00 -0.008 A ATOM 5 C LIG 1 4.094 -0.911 -1.048 0.00 0.00 +0.007 A ATOM 6 C LIG 1 4.582 -0.269 0.091 0.00 0.00 +0.004 A ATOM 7 C LIG 1 3.860 0.779 0.695 0.00 0.00 -0.041 A ATOM 8 C LIG 1 2.121 -1.106 -2.743 0.00 0.00 +0.107 C ATOM 9 C LIG 1 1.628 -2.504 -2.347 0.00 0.00 +0.029 C ATOM 10 C LIG 1 2.636 1.186 0.138 0.00 0.00 +0.027 A ATOM 11 C LIG 1 0.958 -0.100 -2.884 0.00 0.00 +0.136 C ATOM 12 O LIG 1 0.148 2.571 -0.480 0.00 0.00 -0.274 OA ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 2.906 -1.159 -4.050 0.00 0.00 +0.317 C ATOM 14 O LIG 1 4.081 -0.849 -4.183 0.00 0.00 -0.250 OA BRANCH 13 15 ATOM 15 O LIG 1 2.189 -1.602 -5.114 0.00 0.00 -0.480 OA ATOM 16 H LIG 1 1.267 -1.868 -4.944 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 8 13 BRANCH 1 17 ATOM 17 C LIG 1 -1.280 1.748 -2.221 0.00 0.00 +0.181 C BRANCH 17 24 ATOM 18 C LIG 1 -3.748 1.862 -4.633 0.00 0.00 +0.025 C ATOM 19 C LIG 1 -4.080 1.024 -3.400 0.00 0.00 +0.065 C ATOM 20 N LIG 1 -3.432 -0.299 -3.549 0.00 0.00 -0.311 NA ATOM 21 H LIG 1 -3.991 -0.868 -4.184 0.00 0.00 +0.122 HD ATOM 22 C LIG 1 -3.370 -0.943 -2.229 0.00 0.00 +0.101 C ATOM 23 C LIG 1 -2.475 -0.167 -1.202 0.00 0.00 +0.085 C ATOM 24 N LIG 1 -2.452 1.311 -1.421 0.00 0.00 -0.287 NA ATOM 25 C LIG 1 -3.703 1.754 -2.071 0.00 0.00 +0.103 C BRANCH 23 26 ATOM 26 C LIG 1 -2.936 -0.561 0.244 0.00 0.00 +0.105 C BRANCH 26 27 ATOM 27 N LIG 1 -1.870 -0.552 1.250 0.00 0.00 -0.294 NA ATOM 28 C LIG 1 -2.050 -1.463 2.397 0.00 0.00 +0.079 C ATOM 29 C LIG 1 -3.470 -1.512 2.982 0.00 0.00 +0.026 C ATOM 30 C LIG 1 -1.016 -1.131 3.497 0.00 0.00 +0.178 C ATOM 31 O LIG 1 -1.196 0.165 4.073 0.00 0.00 -0.377 OA ATOM 32 C LIG 1 -1.617 1.153 3.125 0.00 0.00 +0.175 C ATOM 33 C LIG 1 -1.391 0.782 1.649 0.00 0.00 +0.113 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 17 24 ENDBRANCH 1 17 BRANCH 7 34 ATOM 34 C LIG 1 4.373 1.437 1.955 0.00 0.00 +0.070 C BRANCH 34 35 ATOM 35 C LIG 1 3.988 0.695 3.216 0.00 0.00 -0.043 A ATOM 36 C LIG 1 4.897 -0.176 3.837 0.00 0.00 +0.007 A ATOM 37 C LIG 1 4.533 -0.872 4.991 0.00 0.00 +0.038 A ATOM 38 C LIG 1 3.260 -0.703 5.522 0.00 0.00 +0.123 A ATOM 39 F LIG 1 2.912 -1.376 6.626 0.00 0.00 -0.205 F ATOM 40 C LIG 1 2.343 0.151 4.922 0.00 0.00 +0.038 A ATOM 41 C LIG 1 2.705 0.848 3.768 0.00 0.00 +0.007 A ENDBRANCH 34 35 ENDBRANCH 7 34 TORSDOF 8