REMARK Name = BDB060936 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.052 -0.353 1.424 0.00 0.00 +0.082 A ATOM 2 C LIG 1 -0.758 -0.836 0.333 0.00 0.00 +0.126 A ATOM 3 N LIG 1 -1.785 0.078 0.140 0.00 0.00 -0.288 N ATOM 4 C LIG 1 -1.694 1.002 1.176 0.00 0.00 +0.140 A ATOM 5 C LIG 1 -2.670 2.038 1.223 0.00 0.00 +0.055 A ATOM 6 C LIG 1 -3.626 2.139 0.270 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -3.653 1.160 -0.827 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -2.746 0.169 -0.866 0.00 0.00 +0.095 A ATOM 9 N LIG 1 -0.662 0.762 1.954 0.00 0.00 -0.231 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.608 3.178 0.308 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -4.834 4.130 -0.661 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -4.232 4.448 -1.969 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -5.852 4.938 -0.260 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -6.305 4.535 0.982 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -5.555 3.478 1.321 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -5.789 2.790 2.612 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 2 17 ATOM 17 N LIG 1 -0.527 -1.910 -0.484 0.00 0.00 -0.326 N ATOM 18 H LIG 1 0.408 -2.310 -0.408 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 -1.522 -3.000 -0.511 0.00 0.00 +0.072 C ATOM 20 C LIG 1 -1.459 -3.663 -1.900 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -1.871 -5.128 -1.848 0.00 0.00 +0.002 C ATOM 22 C LIG 1 -0.941 -5.945 -0.950 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -0.342 -5.138 0.204 0.00 0.00 +0.002 C ATOM 24 C LIG 1 -1.259 -3.998 0.635 0.00 0.00 +0.022 C ENDBRANCH 17 19 ENDBRANCH 2 17 BRANCH 1 25 ATOM 25 C LIG 1 1.188 -0.885 2.055 0.00 0.00 +0.059 C BRANCH 25 26 ATOM 26 C LIG 1 2.420 -0.021 1.779 0.00 0.00 +0.011 C BRANCH 26 27 ATOM 27 C LIG 1 2.824 -0.022 0.301 0.00 0.00 +0.035 C BRANCH 27 32 ATOM 28 C LIG 1 6.459 2.256 -0.326 0.00 0.00 +0.138 A ATOM 29 C LIG 1 5.208 2.892 -0.298 0.00 0.00 +0.083 A ATOM 30 CL LIG 1 5.061 4.604 -0.505 0.00 0.00 -0.080 Cl ATOM 31 C LIG 1 4.035 2.156 -0.099 0.00 0.00 +0.027 A ATOM 32 C LIG 1 4.089 0.768 0.071 0.00 0.00 -0.046 A ATOM 33 C LIG 1 5.335 0.133 0.050 0.00 0.00 +0.007 A ATOM 34 C LIG 1 6.510 0.870 -0.149 0.00 0.00 +0.047 A BRANCH 28 36 ATOM 35 C LIG 1 8.833 2.432 -0.535 0.00 0.00 +0.277 C ATOM 36 O LIG 1 7.556 3.054 -0.526 0.00 0.00 -0.494 OA ENDBRANCH 28 36 ENDBRANCH 27 32 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 8