REMARK  Name = BDB014342
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.583   0.002  -0.795  0.00  0.00    -0.343 N 
ATOM      2  C   LIG    1       -1.572   0.526   0.018  0.00  0.00    +0.095 A 
ATOM      3  C   LIG    1       -2.525  -0.485   0.173  0.00  0.00    +0.101 A 
ATOM      4  N   LIG    1       -3.635  -0.349   0.933  0.00  0.00    -0.220 NA
ATOM      5  C   LIG    1       -3.727   0.853   1.534  0.00  0.00    +0.240 A 
ATOM      6  N   LIG    1       -2.870   1.884   1.445  0.00  0.00    -0.220 NA
ATOM      7  C   LIG    1       -2.123  -1.611  -0.598  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -1.775   1.746   0.668  0.00  0.00    +0.101 A 
ATOM      9  C   LIG    1       -0.928  -1.270  -1.194  0.00  0.00    +0.097 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -0.909   2.909   0.588  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1       -0.039   3.249   1.632  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1        0.782   4.365   1.513  0.00  0.00    +0.060 A 
ATOM     13 CL   LIG    1        1.880   4.777   2.765  0.00  0.00    -0.082 Cl
ATOM     14  C   LIG    1        0.704   5.124   0.356  0.00  0.00    +0.130 A 
ATOM     15  N   LIG    1       -0.135   4.844  -0.669  0.00  0.00    -0.261 NA
ATOM     16  C   LIG    1       -0.934   3.761  -0.517  0.00  0.00    +0.120 A 
ENDBRANCH   8  10
BRANCH   7  17
ATOM     17  C   LIG    1       -2.760  -2.909  -0.765  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1       -3.326  -3.565   0.336  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -3.943  -4.809   0.181  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -4.001  -5.407  -1.076  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.442  -4.764  -2.179  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -2.824  -3.520  -2.025  0.00  0.00    +0.008 A 
ENDBRANCH   7  17
BRANCH   5  23
ATOM     23  C   LIG    1       -4.952   1.026   2.393  0.00  0.00    +0.374 C 
ATOM     24  O   LIG    1       -5.230   2.009   3.058  0.00  0.00    -0.242 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -5.741  -0.085   2.341  0.00  0.00    -0.475 OA
ATOM     26  H   LIG    1       -5.339  -0.754   1.738  0.00  0.00    +0.296 HD
ENDBRANCH  23  25
ENDBRANCH   5  23
BRANCH   1  27
ATOM     27  C   LIG    1        0.666   0.634  -1.203  0.00  0.00    +0.125 C 
BRANCH  27  32
ATOM     28  C   LIG    1        5.939   0.168   0.378  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1        4.694  -0.300  -0.377  0.00  0.00    -0.014 C 
ATOM     30  C   LIG    1        4.071   0.843  -1.200  0.00  0.00    +0.003 C 
ATOM     31  C   LIG    1        2.925   1.525  -0.460  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1        1.774   0.550  -0.136  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1        2.273  -0.899   0.042  0.00  0.00    +0.005 C 
ATOM     34  C   LIG    1        3.690  -0.937   0.601  0.00  0.00    +0.003 C 
ENDBRANCH  27  32
ENDBRANCH   1  27
TORSDOF 6