REMARK Name = BDB042073 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 5.902 -0.181 0.270 0.00 0.00 -0.282 N ATOM 2 C LIG 1 5.307 -1.195 1.008 0.00 0.00 +0.248 C ATOM 3 O LIG 1 5.782 -2.269 1.325 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 3.962 -0.730 1.361 0.00 0.00 +0.044 A ATOM 5 C LIG 1 2.997 -1.349 2.132 0.00 0.00 +0.014 A ATOM 6 C LIG 1 1.786 -0.674 2.306 0.00 0.00 +0.008 A ATOM 7 C LIG 1 1.559 0.589 1.705 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.574 1.175 0.937 0.00 0.00 +0.133 A ATOM 9 F LIG 1 2.393 2.372 0.363 0.00 0.00 -0.205 F ATOM 10 C LIG 1 3.770 0.513 0.768 0.00 0.00 +0.017 A ATOM 11 C LIG 1 4.974 0.912 -0.008 0.00 0.00 +0.147 C ENDROOT BRANCH 1 18 ATOM 12 O LIG 1 9.972 0.301 -3.384 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 9.171 0.053 -2.487 0.00 0.00 +0.219 C ATOM 14 N LIG 1 8.039 -0.682 -2.731 0.00 0.00 -0.255 N ATOM 15 H LIG 1 7.883 -0.910 -3.704 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 6.919 -0.736 -1.933 0.00 0.00 +0.240 C ATOM 17 O LIG 1 5.830 -1.044 -2.411 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 7.151 -0.382 -0.455 0.00 0.00 +0.163 C ATOM 19 C LIG 1 8.072 0.830 -0.373 0.00 0.00 +0.041 C ATOM 20 C LIG 1 9.390 0.510 -1.063 0.00 0.00 +0.098 C ENDBRANCH 1 18 BRANCH 7 21 ATOM 21 C LIG 1 0.244 1.307 1.913 0.00 0.00 +0.122 C BRANCH 21 22 ATOM 22 N LIG 1 -0.931 0.493 1.558 0.00 0.00 -0.298 NA ATOM 23 C LIG 1 -2.176 1.053 2.099 0.00 0.00 +0.086 C ATOM 24 C LIG 1 -3.188 1.573 1.080 0.00 0.00 +0.038 C ATOM 25 C LIG 1 -3.400 0.645 -0.128 0.00 0.00 +0.081 C ATOM 26 C LIG 1 -2.314 -0.419 -0.290 0.00 0.00 +0.038 C ATOM 27 C LIG 1 -0.971 0.169 0.127 0.00 0.00 +0.086 C BRANCH 25 28 ATOM 28 N LIG 1 -4.784 0.103 -0.260 0.00 0.00 -0.297 N BRANCH 28 29 ATOM 29 C LIG 1 -5.487 -0.472 0.818 0.00 0.00 +0.034 A ATOM 30 C LIG 1 -6.894 -0.366 0.852 0.00 0.00 +0.023 A ATOM 31 C LIG 1 -7.657 -0.907 1.892 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -7.029 -1.577 2.933 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.645 -1.710 2.923 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -4.888 -1.167 1.874 0.00 0.00 +0.023 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -5.224 -0.010 -1.611 0.00 0.00 +0.034 A ATOM 36 C LIG 1 -5.657 -1.247 -2.117 0.00 0.00 +0.023 A ATOM 37 C LIG 1 -6.093 -1.375 -3.437 0.00 0.00 +0.002 A ATOM 38 C LIG 1 -6.115 -0.262 -4.273 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.708 0.978 -3.787 0.00 0.00 +0.002 A ATOM 40 C LIG 1 -5.269 1.103 -2.466 0.00 0.00 +0.023 A ENDBRANCH 28 35 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 7 21 TORSDOF 6