REMARK Name = BDB042069 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.543 -0.058 2.934 0.00 0.00 +0.119 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.452 -0.458 -0.639 0.00 0.00 -0.282 N ATOM 3 C LIG 1 5.426 0.743 0.057 0.00 0.00 +0.248 C ATOM 4 O LIG 1 6.215 1.665 0.003 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 4.223 0.722 0.896 0.00 0.00 +0.042 A ATOM 6 C LIG 1 3.519 -0.446 0.613 0.00 0.00 -0.018 A ATOM 7 C LIG 1 2.328 -0.716 1.261 0.00 0.00 +0.010 A ATOM 8 C LIG 1 1.848 0.211 2.208 0.00 0.00 -0.033 A ATOM 9 C LIG 1 2.584 1.389 2.478 0.00 0.00 +0.005 A ATOM 10 C LIG 1 3.785 1.655 1.815 0.00 0.00 +0.014 A ATOM 11 C LIG 1 4.229 -1.225 -0.442 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 9.005 0.001 -4.826 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 8.253 -0.155 -3.868 0.00 0.00 +0.219 C ATOM 14 N LIG 1 6.944 0.251 -3.927 0.00 0.00 -0.255 N ATOM 15 H LIG 1 6.660 0.707 -4.783 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 5.940 -0.000 -3.020 0.00 0.00 +0.240 C ATOM 17 O LIG 1 4.772 0.274 -3.296 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 6.357 -0.749 -1.745 0.00 0.00 +0.163 C ATOM 19 C LIG 1 7.827 -0.482 -1.424 0.00 0.00 +0.041 C ATOM 20 C LIG 1 8.684 -0.881 -2.615 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 N LIG 1 -0.606 -0.166 2.023 0.00 0.00 -0.298 NA ATOM 22 C LIG 1 -1.787 -0.689 2.708 0.00 0.00 +0.086 C ATOM 23 C LIG 1 -2.848 -1.084 1.679 0.00 0.00 +0.038 C ATOM 24 C LIG 1 -2.979 -0.060 0.534 0.00 0.00 +0.081 C ATOM 25 C LIG 1 -2.360 1.287 0.940 0.00 0.00 +0.038 C ATOM 26 C LIG 1 -0.890 1.110 1.341 0.00 0.00 +0.086 C BRANCH 24 27 ATOM 27 N LIG 1 -4.385 0.026 0.036 0.00 0.00 -0.297 N BRANCH 27 28 ATOM 28 C LIG 1 -5.162 1.092 0.546 0.00 0.00 +0.034 A ATOM 29 C LIG 1 -5.684 1.067 1.845 0.00 0.00 +0.023 A ATOM 30 C LIG 1 -6.451 2.132 2.325 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -6.707 3.232 1.509 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.202 3.266 0.211 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -5.438 2.200 -0.268 0.00 0.00 +0.023 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 -4.920 -1.021 -0.759 0.00 0.00 +0.034 A ATOM 35 C LIG 1 -6.301 -1.071 -1.043 0.00 0.00 +0.023 A ATOM 36 C LIG 1 -6.870 -2.086 -1.822 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -6.068 -3.089 -2.349 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -4.703 -3.072 -2.093 0.00 0.00 +0.002 A ATOM 39 C LIG 1 -4.141 -2.052 -1.312 0.00 0.00 +0.023 A ENDBRANCH 27 34 ENDBRANCH 24 27 ENDBRANCH 1 21 TORSDOF 6