REMARK  Name = BDB005653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.131   0.092   0.750  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -0.487  -1.183   0.273  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        0.542  -2.135   0.165  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1        0.263  -3.413  -0.332  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        0.997  -4.103  -0.420  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -0.975  -3.821  -0.734  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1       -2.079  -2.836  -0.611  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -3.452  -3.296  -1.027  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -4.455  -2.145  -1.165  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -4.295  -1.143  -0.028  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1       -2.912  -0.701   0.018  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -2.710   0.033   0.698  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1       -1.160  -4.956  -1.163  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        1.860  -1.846   0.540  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        2.190  -0.583   1.044  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -1.859  -1.596  -0.129  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        1.180   0.378   1.156  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  18
ATOM     18  O   LIG    1       -1.066   1.092   0.891  0.00  0.00    -0.489 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -0.956   2.020  -0.203  0.00  0.00    +0.257 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.099   3.029  -0.100  0.00  0.00    +0.200 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -1.151   5.024  -0.980  0.00  0.00    +0.194 C 
ATOM     22  O   LIG    1       -2.094   3.977  -1.167  0.00  0.00    -0.380 OA
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
BRANCH  15  23
ATOM     23  C   LIG    1        3.606  -0.263   1.475  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.177   0.898   0.771  0.00  0.00    -0.304 NA
ATOM     25  C   LIG    1        5.422   1.313   1.421  0.00  0.00    +0.104 C 
ATOM     26  C   LIG    1        4.431   0.598  -0.641  0.00  0.00    +0.104 C 
ENDBRANCH  23  24
ENDBRANCH  15  23
TORSDOF 6