REMARK  Name = BDB043199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.654   1.528   0.190  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1        0.162   0.315   0.463  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.162   0.178   0.625  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.993   1.281   0.545  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1       -1.432   2.499   0.243  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1       -0.107   2.623   0.070  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -1.707  -1.082   0.937  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -2.768  -1.551   0.018  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -2.178  -2.218  -1.250  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -1.203  -3.303  -0.997  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -1.851  -4.514  -0.502  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -0.169  -2.810  -0.055  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -0.713  -2.138   1.231  0.00  0.00    +0.122 C 
ENDBRANCH   3   7
BRANCH   1  14
ATOM     14  N   LIG    1        2.015   1.748  -0.016  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1        2.153   2.725  -0.230  0.00  0.00    +0.155 HD
BRANCH  14  19
ATOM     16  C   LIG    1        5.545  -0.579   0.184  0.00  0.00    +0.059 A 
ATOM     17  C   LIG    1        5.569   0.739  -0.280  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        4.388   1.490  -0.330  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        3.159   0.953   0.085  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        3.152  -0.369   0.540  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        4.328  -1.131   0.594  0.00  0.00    +0.017 A 
BRANCH  16  22
ATOM     22  C   LIG    1        6.824  -1.339   0.219  0.00  0.00    +0.339 C 
ATOM     23  O   LIG    1        7.896  -0.872  -0.133  0.00  0.00    -0.245 OA
BRANCH  22  25
ATOM     24  C   LIG    1        7.810  -3.388   0.750  0.00  0.00    +0.280 C 
ATOM     25  O   LIG    1        6.623  -2.596   0.689  0.00  0.00    -0.464 OA
ENDBRANCH  22  25
ENDBRANCH  16  22
ENDBRANCH  14  19
ENDBRANCH   1  14
BRANCH   5  26
ATOM     26  N   LIG    1       -2.153   3.685   0.118  0.00  0.00    -0.283 N 
ATOM     27  H   LIG    1       -1.501   4.457   0.042  0.00  0.00    +0.155 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -3.450   4.022  -0.007  0.00  0.00    +0.146 A 
ATOM     29  N   LIG    1       -3.849   5.294   0.074  0.00  0.00    -0.158 NA
ATOM     30  N   LIG    1       -5.175   5.248  -0.107  0.00  0.00    -0.280 N 
ATOM     31  H   LIG    1       -5.694   6.120  -0.067  0.00  0.00    +0.189 HD
ATOM     32  C   LIG    1       -5.651   3.992  -0.347  0.00  0.00    +0.035 A 
ATOM     33  C   LIG    1       -7.080   3.719  -0.606  0.00  0.00    +0.065 C 
ATOM     34  C   LIG    1       -4.543   3.173  -0.298  0.00  0.00    +0.068 A 
ENDBRANCH  26  28
ENDBRANCH   5  26
TORSDOF 7