REMARK Name = BDB006159 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.431 0.262 0.072 0.00 0.00 -0.265 N ATOM 2 C LIG 1 0.477 -0.753 0.017 0.00 0.00 +0.048 A ATOM 3 C LIG 1 -0.685 -0.135 0.424 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -2.129 -0.360 0.679 0.00 0.00 +0.146 C ATOM 5 N LIG 1 -2.573 0.979 1.143 0.00 0.00 -0.254 N ATOM 6 C LIG 1 -1.508 1.923 1.174 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.530 3.096 1.512 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.351 1.176 0.728 0.00 0.00 +0.153 A ATOM 9 N LIG 1 0.929 1.449 0.517 0.00 0.00 -0.166 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.934 1.316 1.405 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.857 0.444 2.026 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -4.488 -0.858 2.681 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -6.212 0.828 2.128 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.649 2.071 1.681 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.732 2.953 1.133 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -6.256 4.499 0.589 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -4.393 2.586 1.002 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -2.746 -0.895 -0.609 0.00 0.00 -0.019 A ATOM 19 C LIG 1 -2.875 -0.196 -1.837 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -2.374 1.206 -2.067 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -3.472 -0.842 -2.941 0.00 0.00 +0.023 A ATOM 22 C LIG 1 -3.934 -2.152 -2.851 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -4.653 -2.908 -4.218 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -3.805 -2.852 -1.663 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -3.216 -2.231 -0.560 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 2 26 ATOM 26 C LIG 1 0.684 -2.178 -0.416 0.00 0.00 +0.032 C ATOM 27 C LIG 1 1.179 -2.298 -1.856 0.00 0.00 +0.014 C ATOM 28 C LIG 1 1.541 -2.972 0.568 0.00 0.00 +0.014 C ENDBRANCH 2 26 BRANCH 1 29 ATOM 29 C LIG 1 2.831 0.220 -0.317 0.00 0.00 +0.166 C BRANCH 29 32 ATOM 30 C LIG 1 5.690 1.425 -0.982 0.00 0.00 +0.403 C ATOM 31 N LIG 1 5.176 0.886 0.170 0.00 0.00 -0.263 N ATOM 32 C LIG 1 3.772 1.060 0.566 0.00 0.00 +0.101 C ATOM 33 C LIG 1 3.773 0.637 2.045 0.00 0.00 +0.026 C ATOM 34 C LIG 1 4.929 -0.352 2.143 0.00 0.00 +0.021 C ATOM 35 C LIG 1 5.964 0.247 1.207 0.00 0.00 +0.111 C ATOM 36 O LIG 1 5.013 1.999 -1.826 0.00 0.00 -0.226 OA BRANCH 30 38 ATOM 37 C LIG 1 7.614 1.786 -2.260 0.00 0.00 +0.282 C ATOM 38 O LIG 1 7.032 1.234 -1.079 0.00 0.00 -0.454 OA ENDBRANCH 30 38 ENDBRANCH 29 32 ENDBRANCH 1 29 TORSDOF 6