REMARK Name = BDB022166 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.357 -0.680 0.341 0.00 0.00 +0.171 C ATOM 2 C LIG 1 -0.304 0.445 -0.499 0.00 0.00 +0.083 C ATOM 3 C LIG 1 -1.801 0.385 -0.400 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -2.867 0.900 -1.179 0.00 0.00 +0.066 A ATOM 5 N LIG 1 -4.056 0.556 -0.673 0.00 0.00 -0.170 NA ATOM 6 N LIG 1 -3.792 -0.021 0.529 0.00 0.00 -0.218 N ATOM 7 C LIG 1 -2.827 1.711 -2.424 0.00 0.00 +0.068 C ATOM 8 C LIG 1 -2.424 -0.222 0.671 0.00 0.00 +0.133 A ATOM 9 N LIG 1 -1.757 -0.882 1.678 0.00 0.00 -0.268 N ATOM 10 H LIG 1 -2.223 -1.249 2.496 0.00 0.00 +0.156 HD ATOM 11 C LIG 1 -0.387 -0.954 1.670 0.00 0.00 +0.240 C ATOM 12 O LIG 1 0.210 -1.311 2.690 0.00 0.00 -0.273 OA ENDROOT BRANCH 2 13 ATOM 13 C LIG 1 0.064 0.385 -1.974 0.00 0.00 -0.037 A ATOM 14 C LIG 1 0.774 1.451 -2.552 0.00 0.00 +0.005 A ATOM 15 C LIG 1 1.154 1.414 -3.896 0.00 0.00 +0.019 A ATOM 16 C LIG 1 0.835 0.305 -4.685 0.00 0.00 +0.052 A ATOM 17 C LIG 1 0.133 -0.764 -4.124 0.00 0.00 +0.019 A ATOM 18 C LIG 1 -0.247 -0.726 -2.780 0.00 0.00 +0.005 A BRANCH 16 19 ATOM 19 C LIG 1 1.229 0.266 -6.063 0.00 0.00 +0.099 C ATOM 20 N LIG 1 1.540 0.242 -7.181 0.00 0.00 -0.191 NA ENDBRANCH 16 19 ENDBRANCH 2 13 BRANCH 6 21 ATOM 21 C LIG 1 -4.868 -0.301 1.420 0.00 0.00 +0.067 A ATOM 22 C LIG 1 -4.680 -0.417 2.803 0.00 0.00 +0.028 A ATOM 23 C LIG 1 -5.767 -0.696 3.638 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -7.045 -0.845 3.104 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -7.247 -0.698 1.735 0.00 0.00 +0.002 A ATOM 26 C LIG 1 -6.166 -0.418 0.896 0.00 0.00 +0.028 A ENDBRANCH 6 21 BRANCH 1 28 ATOM 27 C LIG 1 2.800 -0.781 -0.110 0.00 0.00 +0.245 C ATOM 28 N LIG 1 1.756 -0.385 0.698 0.00 0.00 -0.299 N ATOM 29 H LIG 1 1.944 -0.344 1.696 0.00 0.00 +0.150 HD ATOM 30 O LIG 1 2.642 -1.301 -1.208 0.00 0.00 -0.270 OA BRANCH 27 34 ATOM 31 C LIG 1 6.057 1.542 2.974 0.00 0.00 +0.044 C ATOM 32 C LIG 1 5.762 0.535 1.902 0.00 0.00 -0.050 A ATOM 33 C LIG 1 4.455 0.376 1.418 0.00 0.00 +0.016 A ATOM 34 C LIG 1 4.172 -0.588 0.439 0.00 0.00 +0.037 A ATOM 35 C LIG 1 5.207 -1.385 -0.065 0.00 0.00 +0.013 A ATOM 36 C LIG 1 6.505 -1.241 0.424 0.00 0.00 +0.001 A ATOM 37 C LIG 1 6.779 -0.292 1.409 0.00 0.00 +0.003 A ENDBRANCH 27 34 ENDBRANCH 1 28 TORSDOF 5