REMARK  Name = BDB004652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.033  -0.229  -0.570  0.00  0.00    -0.320 N 
ATOM      2  H   LIG    1        0.005  -1.179  -0.931  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.316   0.317  -0.740  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1        2.438  -0.390  -0.258  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        3.698   0.201  -0.471  0.00  0.00    +0.088 A 
ATOM      6  C   LIG    1        4.833  -0.500  -0.012  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        4.713  -1.738   0.648  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        3.467  -2.301   0.870  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        3.791   1.399  -1.093  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        2.658   1.997  -1.478  0.00  0.00    +0.223 A 
ATOM     11  C   LIG    1        2.338  -1.631   0.422  0.00  0.00    +0.013 A 
ATOM     12  N   LIG    1        1.425   1.517  -1.330  0.00  0.00    -0.220 NA
BRANCH   6  13
ATOM     13  C   LIG    1        6.233   0.003  -0.182  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1        7.200  -0.636   0.220  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1        6.423   1.202  -0.801  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        5.634   1.751  -1.129  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        7.363   1.556  -0.908  0.00  0.00    +0.145 HD
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -1.118   0.551  -1.048  0.00  0.00    +0.123 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.768  -1.381  -0.483  0.00  0.00    +0.125 A 
ATOM     20  C   LIG    1       -2.305  -0.371  -1.353  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1       -2.998  -0.165  -2.566  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -4.103  -0.944  -2.910  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -4.536  -1.946  -2.051  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -3.869  -2.168  -0.846  0.00  0.00    +0.046 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -2.832  -2.050   1.790  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -2.066  -1.595   0.676  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  18  20
BRANCH  18  27
ATOM     27  C   LIG    1       -1.508   1.662  -0.033  0.00  0.00    +0.131 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -1.639   1.173   1.334  0.00  0.00    -0.313 N 
ATOM     29  H   LIG    1       -1.241   0.255   1.512  0.00  0.00    +0.149 HD
ATOM     30  C   LIG    1       -2.175   1.805   2.411  0.00  0.00    +0.210 C 
ATOM     31  O   LIG    1       -2.220   1.243   3.503  0.00  0.00    -0.276 OA
ATOM     32  C   LIG    1       -2.723   3.189   2.201  0.00  0.00    +0.109 C 
ENDBRANCH  27  28
ENDBRANCH  18  27
ENDBRANCH   1  18
TORSDOF 7