REMARK Name = BDB006160 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.858 0.324 0.537 0.00 0.00 +0.146 C ATOM 2 N LIG 1 -2.507 1.646 0.291 0.00 0.00 -0.254 N ATOM 3 C LIG 1 -1.727 2.509 -0.514 0.00 0.00 +0.272 C ATOM 4 O LIG 1 -1.928 3.672 -0.825 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 -0.573 1.711 -0.867 0.00 0.00 +0.153 A ATOM 6 N LIG 1 0.500 1.903 -1.623 0.00 0.00 -0.166 NA ATOM 7 N LIG 1 1.193 0.743 -1.457 0.00 0.00 -0.265 N ATOM 8 C LIG 1 0.536 -0.198 -0.670 0.00 0.00 +0.048 A ATOM 9 C LIG 1 -0.621 0.447 -0.283 0.00 0.00 +0.031 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -2.922 -1.929 2.313 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -3.147 -1.887 0.824 0.00 0.00 -0.044 A ATOM 12 C LIG 1 -2.676 -0.841 -0.009 0.00 0.00 -0.019 A ATOM 13 C LIG 1 -3.035 -0.872 -1.380 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -3.803 -1.906 -1.916 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -4.247 -2.927 -1.090 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -5.199 -4.203 -1.740 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -3.932 -2.917 0.266 0.00 0.00 +0.023 A ENDBRANCH 1 12 BRANCH 2 18 ATOM 18 C LIG 1 -3.728 2.015 0.915 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -4.753 2.716 0.242 0.00 0.00 -0.029 A ATOM 20 C LIG 1 -4.718 3.065 -1.223 0.00 0.00 +0.045 C ATOM 21 C LIG 1 -5.916 3.087 0.949 0.00 0.00 +0.006 A ATOM 22 C LIG 1 -6.092 2.732 2.284 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -5.102 2.006 2.928 0.00 0.00 +0.043 A ATOM 24 CL LIG 1 -5.309 1.550 4.575 0.00 0.00 -0.083 Cl ATOM 25 C LIG 1 -3.933 1.650 2.256 0.00 0.00 +0.043 A ENDBRANCH 2 18 BRANCH 8 26 ATOM 26 C LIG 1 1.094 -1.561 -0.374 0.00 0.00 +0.032 C ATOM 27 C LIG 1 0.914 -1.963 1.087 0.00 0.00 +0.014 C ATOM 28 C LIG 1 0.492 -2.614 -1.304 0.00 0.00 +0.014 C ENDBRANCH 8 26 BRANCH 7 29 ATOM 29 C LIG 1 2.457 0.620 -2.169 0.00 0.00 +0.166 C BRANCH 29 30 ATOM 30 C LIG 1 3.618 1.318 -1.441 0.00 0.00 +0.099 C ATOM 31 N LIG 1 4.385 0.372 -0.604 0.00 0.00 -0.281 N ATOM 32 C LIG 1 4.060 0.217 0.733 0.00 0.00 +0.305 C ATOM 33 N LIG 1 4.808 -0.715 1.440 0.00 0.00 -0.292 N ATOM 34 C LIG 1 4.783 -0.597 2.887 0.00 0.00 +0.133 C ATOM 35 C LIG 1 4.928 -2.075 0.940 0.00 0.00 +0.133 C ATOM 36 O LIG 1 3.177 0.882 1.272 0.00 0.00 -0.252 OA ATOM 37 C LIG 1 5.744 0.218 -1.113 0.00 0.00 +0.110 C ATOM 38 C LIG 1 5.673 0.725 -2.542 0.00 0.00 +0.021 C ATOM 39 C LIG 1 4.664 1.857 -2.430 0.00 0.00 +0.026 C ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 5