REMARK  Name = BDB004865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.027  -0.441   1.531  0.00  0.00    -0.322 N 
ATOM      2  H   LIG    1        0.094   0.080   2.395  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.177  -0.360   0.809  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1        2.384  -0.739   1.436  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        3.564  -0.610   0.676  0.00  0.00    +0.088 A 
ATOM      6  C   LIG    1        4.782  -0.969   1.292  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        4.819  -1.452   2.615  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        3.653  -1.593   3.348  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        3.509  -0.161  -0.597  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        2.309   0.140  -1.103  0.00  0.00    +0.223 A 
ATOM     11  C   LIG    1        2.445  -1.241   2.762  0.00  0.00    +0.013 A 
ATOM     12  N   LIG    1        1.146   0.058  -0.461  0.00  0.00    -0.220 NA
BRANCH   6  13
ATOM     13  C   LIG    1        6.109  -0.872   0.607  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1        7.148  -1.201   1.170  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1        6.150  -0.404  -0.672  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        7.038  -0.350  -1.149  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        5.297  -0.146  -1.161  0.00  0.00    +0.145 HD
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -1.321  -0.104   0.912  0.00  0.00    +0.103 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.474   1.405   0.749  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1       -1.221   2.064  -0.465  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1       -1.343   3.458  -0.555  0.00  0.00    +0.127 A 
ATOM     22  C   LIG    1       -1.730   4.215   0.557  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1       -1.985   3.571   1.766  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -1.853   2.182   1.861  0.00  0.00    +0.005 A 
BRANCH  21  25
ATOM     25  N   LIG    1       -1.051   4.133  -1.825  0.00  0.00    +0.056 N 
ATOM     26  O   LIG    1       -0.530   3.466  -2.730  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1       -1.339   5.335  -1.916  0.00  0.00    -0.126 OA
ENDBRANCH  21  25
ENDBRANCH  18  19
BRANCH  18  28
ATOM     28  C   LIG    1       -1.667  -1.007  -0.292  0.00  0.00    +0.042 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.171  -0.970  -0.615  0.00  0.00    +0.086 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -3.309  -3.156  -1.693  0.00  0.00    +0.104 C 
ATOM     31  N   LIG    1       -3.523  -1.715  -1.837  0.00  0.00    -0.308 NA
ATOM     32  C   LIG    1       -4.920  -1.456  -2.200  0.00  0.00    +0.104 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  18  28
ENDBRANCH   1  18
TORSDOF 8