REMARK  Name = BDB005019
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.245   2.013   0.613  0.00  0.00    -0.322 N 
ATOM      2  H   LIG    1        1.077   1.527  -0.263  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.048   1.175   1.410  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1        3.265   0.687   0.881  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        4.015  -0.176   1.705  0.00  0.00    +0.088 A 
ATOM      6  C   LIG    1        5.225  -0.685   1.188  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        5.677  -0.335  -0.100  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        4.942   0.528  -0.895  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        3.576  -0.488   2.944  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        2.427   0.057   3.355  0.00  0.00    +0.223 A 
ATOM     11  C   LIG    1        3.746   1.036  -0.407  0.00  0.00    +0.013 A 
ATOM     12  N   LIG    1        1.651   0.877   2.652  0.00  0.00    -0.220 NA
BRANCH   6  13
ATOM     13  C   LIG    1        6.115  -1.619   1.948  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1        7.178  -2.016   1.481  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1        5.722  -2.031   3.186  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        4.860  -1.687   3.599  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        6.326  -2.642   3.716  0.00  0.00    +0.145 HD
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -0.015   2.571   1.125  0.00  0.00    +0.099 C 
ATOM     19  C   LIG    1        0.191   3.515   2.314  0.00  0.00    +0.033 C 
BRANCH  18  22
ATOM     20  C   LIG    1       -2.734   0.050   0.135  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -1.724   1.023   0.080  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -1.105   1.516   1.247  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1       -1.522   1.002   2.481  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -2.524   0.034   2.545  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.128  -0.439   1.378  0.00  0.00    +0.023 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -4.281  -1.312  -1.295  0.00  0.00    +0.220 C 
ATOM     27  N   LIG    1       -3.288  -0.371  -1.093  0.00  0.00    -0.285 N 
ATOM     28  H   LIG    1       -2.906   0.072  -1.916  0.00  0.00    +0.155 HD
ATOM     29  O   LIG    1       -4.848  -1.960  -0.419  0.00  0.00    -0.275 OA
BRANCH  26  30
ATOM     30  C   LIG    1       -4.638  -1.555  -2.766  0.00  0.00    +0.072 C 
ATOM     31  C   LIG    1       -4.959  -0.269  -3.526  0.00  0.00    +0.017 C 
BRANCH  30  33
ATOM     32  C   LIG    1       -2.289  -1.830  -3.853  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1       -3.619  -2.465  -3.471  0.00  0.00    +0.009 C 
ENDBRANCH  30  33
ENDBRANCH  26  30
ENDBRANCH  20  27
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 7