REMARK Name = BDB003290 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.439 0.733 -0.329 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -1.240 0.165 -0.576 0.00 0.00 -0.226 NA ATOM 3 C LIG 1 -0.605 0.473 -1.731 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -1.144 1.409 -2.661 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -2.413 1.964 -2.375 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -3.001 2.880 -3.265 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -2.341 3.273 -4.428 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -1.079 2.766 -4.710 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -0.487 1.852 -3.836 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -3.068 1.612 -1.195 0.00 0.00 +0.041 A ENDROOT BRANCH 3 11 ATOM 11 N LIG 1 0.631 -0.179 -1.983 0.00 0.00 -0.284 N ATOM 12 C LIG 1 1.625 -0.428 -1.006 0.00 0.00 +0.039 A ATOM 13 C LIG 1 2.493 -1.529 -1.085 0.00 0.00 -0.025 A ATOM 14 C LIG 1 3.515 -1.697 -0.135 0.00 0.00 +0.014 A ATOM 15 C LIG 1 3.675 -0.805 0.937 0.00 0.00 -0.006 A ATOM 16 C LIG 1 2.780 0.266 1.072 0.00 0.00 +0.027 A ATOM 17 C LIG 1 2.352 -2.544 -2.186 0.00 0.00 +0.038 C ATOM 18 C LIG 1 0.935 -2.529 -2.734 0.00 0.00 +0.024 C ATOM 19 C LIG 1 1.790 0.450 0.081 0.00 0.00 +0.033 A ATOM 20 C LIG 1 0.571 -1.105 -3.128 0.00 0.00 +0.113 C BRANCH 15 21 ATOM 21 C LIG 1 4.769 -1.046 1.856 0.00 0.00 +0.020 A ATOM 22 C LIG 1 5.771 -0.145 2.143 0.00 0.00 +0.116 A ATOM 23 N LIG 1 6.604 -0.772 3.023 0.00 0.00 -0.274 N ATOM 24 C LIG 1 7.781 -0.219 3.646 0.00 0.00 +0.172 C ATOM 25 N LIG 1 6.250 -2.044 3.286 0.00 0.00 -0.179 NA ATOM 26 C LIG 1 5.125 -2.204 2.583 0.00 0.00 +0.142 A ENDBRANCH 15 21 BRANCH 16 27 ATOM 27 C LIG 1 2.825 1.248 2.215 0.00 0.00 +0.372 C ATOM 28 F LIG 1 3.755 2.229 2.026 0.00 0.00 -0.204 F ATOM 29 F LIG 1 3.104 0.691 3.427 0.00 0.00 -0.204 F ENDBRANCH 16 27 ENDBRANCH 3 11 BRANCH 1 32 ATOM 30 N LIG 1 -4.446 0.151 0.933 0.00 0.00 -0.308 N ATOM 31 H LIG 1 -4.879 -0.040 0.035 0.00 0.00 +0.149 HD ATOM 32 C LIG 1 -3.079 0.372 0.975 0.00 0.00 +0.263 C ATOM 33 O LIG 1 -2.420 0.276 2.005 0.00 0.00 -0.269 OA BRANCH 30 34 ATOM 34 C LIG 1 -5.138 -0.378 2.095 0.00 0.00 +0.135 C BRANCH 34 36 ATOM 35 C LIG 1 -7.405 -0.930 3.070 0.00 0.00 +0.039 C ATOM 36 C LIG 1 -6.655 -0.353 1.880 0.00 0.00 +0.128 C BRANCH 36 37 ATOM 37 O LIG 1 -6.980 -1.105 0.703 0.00 0.00 -0.391 OA ATOM 38 H LIG 1 -6.781 -2.041 0.888 0.00 0.00 +0.210 HD ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 30 34 ENDBRANCH 1 32 TORSDOF 7