REMARK  Name = BDB007997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.513   0.561   1.032  0.00  0.00    -0.303 NA
ATOM      2  H   LIG    1        1.042  -0.301   0.895  0.00  0.00    +0.123 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.389   1.592   1.601  0.00  0.00    +0.137 C 
BRANCH   3   6
ATOM      4  C   LIG    1        4.513   1.519  -0.559  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        3.517   1.109   0.330  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        2.496   2.001   0.647  0.00  0.00    +0.056 A 
ATOM      7  N   LIG    1        2.443   3.254   0.128  0.00  0.00    -0.259 NA
ATOM      8  C   LIG    1        3.417   3.624  -0.731  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        4.462   2.803  -1.102  0.00  0.00    +0.034 A 
BRANCH   4  10
ATOM     10  C   LIG    1        5.638   0.635  -0.960  0.00  0.00    +0.339 C 
ATOM     11  O   LIG    1        6.513   0.977  -1.738  0.00  0.00    -0.245 OA
BRANCH  10  12
ATOM     12  O   LIG    1        5.538  -0.570  -0.347  0.00  0.00    -0.461 OA
BRANCH  12  14
ATOM     13  C   LIG    1        6.205  -2.296  -1.908  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1        6.571  -1.517  -0.659  0.00  0.00    +0.229 C 
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   4  10
ENDBRANCH   3   6
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1       -0.603   0.271   1.944  0.00  0.00    +0.178 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.443  -0.883   1.378  0.00  0.00    +0.229 C 
ATOM     17  N   LIG    1       -2.461  -0.584   0.464  0.00  0.00    -0.299 N 
ATOM     18  O   LIG    1       -1.200  -2.035   1.750  0.00  0.00    -0.274 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -2.423   0.632  -0.362  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1       -1.706   0.422  -1.689  0.00  0.00    +0.024 C 
ENDBRANCH  17  19
BRANCH  17  21
ATOM     21  C   LIG    1       -3.259  -1.727  -0.015  0.00  0.00    +0.123 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.725  -1.444  -0.421  0.00  0.00    +0.102 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -5.692  -1.328   0.691  0.00  0.00    -0.307 NA
ATOM     24  C   LIG    1       -7.053  -1.213   0.162  0.00  0.00    +0.104 C 
ATOM     25  C   LIG    1       -5.406  -0.205   1.581  0.00  0.00    +0.104 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 11