REMARK  Name = BDB049920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.319  -0.332  -0.467  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        2.947  -0.279  -0.149  0.00  0.00    +0.101 A 
ATOM      3  C   LIG    1        2.488  -0.963   0.973  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1        1.140  -0.716   1.004  0.00  0.00    -0.340 N 
ATOM      5  H   LIG    1        0.495  -1.068   1.698  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        0.815   0.087  -0.065  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1        3.317  -1.710   1.814  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        4.676  -1.754   1.486  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1        1.894   0.364  -0.777  0.00  0.00    -0.230 NA
ATOM     10  C   LIG    1        5.172  -1.079   0.368  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -0.604   0.563  -0.347  0.00  0.00    +0.079 C 
ATOM     12  C   LIG    1       -1.497  -0.646  -0.735  0.00  0.00    +0.065 C 
ATOM     13  C   LIG    1       -2.987  -0.417  -0.613  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -3.514   0.690   0.072  0.00  0.00    -0.044 A 
ATOM     15  C   LIG    1       -4.906   0.840   0.172  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -5.766  -0.111  -0.377  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.245  -1.217  -1.039  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -2.621   1.761   0.645  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -3.864  -1.371  -1.156  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -1.192   1.276   0.886  0.00  0.00    +0.035 C 
BRANCH  11  21
ATOM     21  N   LIG    1       -0.541   1.529  -1.468  0.00  0.00    -0.318 NA
ATOM     22  H   LIG    1        0.152   2.240  -1.226  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1       -0.124   1.046  -2.267  0.00  0.00    +0.119 HD
ENDBRANCH  11  21
ENDBRANCH   6  11
BRANCH   1  27
ATOM     24  N   LIG    1        4.026   1.081  -2.426  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1        3.033   1.127  -2.208  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        4.385   1.567  -3.234  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1        4.886   0.368  -1.643  0.00  0.00    +0.244 C 
ATOM     28  O   LIG    1        6.082   0.312  -1.907  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3