REMARK  Name = BDB042405
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.943  -0.420   0.213  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1        1.139   0.663  -0.172  0.00  0.00    +0.053 A 
ATOM      3  C   LIG    1       -0.239   0.494  -0.351  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -0.828  -0.785  -0.178  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -0.015  -1.857   0.211  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1        1.359  -1.679   0.407  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -2.230  -0.897  -0.359  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -2.651  -2.025  -1.218  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -4.187  -1.992  -1.417  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -4.984  -1.960  -0.169  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -4.973  -3.252   0.513  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -4.475  -0.877   0.706  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -2.943  -0.878   0.941  0.00  0.00    +0.120 C 
ENDBRANCH   4   7
BRANCH   1  17
ATOM     14  C   LIG    1        5.478  -0.434   0.800  0.00  0.00    +0.189 A 
ATOM     15  N   LIG    1        5.224   0.864   0.449  0.00  0.00    -0.122 NA
ATOM     16  N   LIG    1        3.926   0.982   0.207  0.00  0.00    -0.060 NA
ATOM     17  N   LIG    1        3.336  -0.224   0.398  0.00  0.00    -0.219 N 
ATOM     18  C   LIG    1        4.291  -1.139   0.772  0.00  0.00    +0.151 A 
BRANCH  14  19
ATOM     19  C   LIG    1        6.792  -0.951   1.139  0.00  0.00    +0.361 C 
ATOM     20  O   LIG    1        6.990  -2.122   1.449  0.00  0.00    -0.243 OA
BRANCH  19  22
ATOM     21  C   LIG    1        9.072  -0.470   1.401  0.00  0.00    +0.280 C 
ATOM     22  O   LIG    1        7.766   0.002   1.074  0.00  0.00    -0.463 OA
ENDBRANCH  19  22
ENDBRANCH  14  19
ENDBRANCH   1  17
BRANCH   3  23
ATOM     23  N   LIG    1       -1.083   1.549  -0.790  0.00  0.00    -0.296 N 
ATOM     24  H   LIG    1       -2.043   1.190  -0.782  0.00  0.00    +0.154 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -1.084   2.896  -0.340  0.00  0.00    +0.148 A 
ATOM     26  C   LIG    1       -2.013   3.762  -0.927  0.00  0.00    +0.102 A 
ATOM     27  C   LIG    1       -2.024   5.031  -0.364  0.00  0.00    +0.155 A 
ATOM     28 CL   LIG    1       -3.161   6.223  -0.878  0.00  0.00    -0.060 Cl
ATOM     29  N   LIG    1       -1.176   5.482   0.576  0.00  0.00    -0.222 NA
ATOM     30  C   LIG    1       -0.290   4.580   1.001  0.00  0.00    +0.225 A 
ATOM     31  N   LIG    1       -0.204   3.307   0.596  0.00  0.00    -0.219 NA
BRANCH  26  32
ATOM     32  N   LIG    1       -2.990   3.291  -1.840  0.00  0.00    -0.353 N 
ATOM     33  H   LIG    1       -3.400   4.045  -2.390  0.00  0.00    +0.143 HD
ATOM     34  H   LIG    1       -2.616   2.546  -2.427  0.00  0.00    +0.143 HD
ENDBRANCH  26  32
ENDBRANCH  23  25
ENDBRANCH   3  23
TORSDOF 7