REMARK  Name = BDB004023
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.709  -0.194   4.136  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -0.164  -0.143   2.742  0.00  0.00    +0.045 A 
ATOM      3  N   LIG    1       -1.047  -0.009   1.736  0.00  0.00    -0.219 NA
ATOM      4  C   LIG    1       -0.567   0.046   0.487  0.00  0.00    +0.221 A 
ATOM      5  N   LIG    1        0.741  -0.023   0.197  0.00  0.00    -0.199 NA
ATOM      6  C   LIG    1        1.615  -0.169   1.206  0.00  0.00    +0.128 A 
ATOM      7  C   LIG    1        1.192  -0.229   2.519  0.00  0.00    +0.067 A 
ENDROOT
BRANCH   4   8
ATOM      8  N   LIG    1       -1.400   0.184  -0.620  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -0.827   0.177  -1.452  0.00  0.00    +0.155 HD
BRANCH   8  10
ATOM     10  C   LIG    1       -2.784   0.248  -0.796  0.00  0.00    +0.034 A 
ATOM     11  C   LIG    1       -3.287   0.413  -2.099  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -4.660   0.503  -2.346  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -5.560   0.445  -1.283  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1       -5.087   0.264   0.018  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -3.709   0.175   0.253  0.00  0.00    +0.024 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -7.008   0.549  -1.572  0.00  0.00    +0.337 C 
ATOM     17  O   LIG    1       -7.535   0.029  -2.540  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -7.669   1.317  -0.681  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1       -7.092   1.804  -0.062  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   8  10
ENDBRANCH   4   8
BRANCH   6  20
ATOM     20  N   LIG    1        3.008  -0.245   0.962  0.00  0.00    -0.299 N 
ATOM     21  H   LIG    1        3.398  -1.051   1.458  0.00  0.00    +0.154 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.694  -0.049  -0.264  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        4.878  -0.757  -0.579  0.00  0.00    +0.080 A 
ATOM     24  C   LIG    1        5.563  -0.487  -1.780  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1        5.098   0.484  -2.665  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        3.951   1.202  -2.354  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        3.265   0.943  -1.165  0.00  0.00    +0.024 A 
BRANCH  23  28
ATOM     28  C   LIG    1        5.479  -1.814   0.280  0.00  0.00    +0.339 C 
ATOM     29  O   LIG    1        6.529  -2.393   0.064  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        4.750  -2.130   1.370  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        5.290  -2.842   1.782  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  23  28
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 8