REMARK  Name = BDB053819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.528  -1.986   0.696  0.00  0.00    -0.279 N 
ATOM      2  H   LIG    1        0.274  -2.946   0.911  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -1.888  -1.774   0.759  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -0.622  -1.175   0.579  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1       -0.574   0.190   0.294  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -1.747   0.949   0.187  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -3.008   0.370   0.358  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1       -3.055  -1.005   0.645  0.00  0.00    +0.070 A 
BRANCH   7   9
ATOM      9  N   LIG    1       -4.212   1.081   0.247  0.00  0.00    -0.325 N 
ATOM     10  C   LIG    1       -4.219   2.541   0.491  0.00  0.00    +0.133 C 
ATOM     11  C   LIG    1       -4.360   3.313  -0.828  0.00  0.00    +0.178 C 
ATOM     12  O   LIG    1       -5.574   3.016  -1.538  0.00  0.00    -0.377 OA
ATOM     13  C   LIG    1       -6.095   1.709  -1.247  0.00  0.00    +0.178 C 
ATOM     14  C   LIG    1       -5.002   0.672  -0.943  0.00  0.00    +0.133 C 
ENDBRANCH   7   9
BRANCH   3  16
ATOM     15  C   LIG    1       -3.106  -3.759   1.287  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -1.858  -3.122   1.042  0.00  0.00    -0.493 OA
ENDBRANCH   3  16
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1        1.841  -1.738   0.579  0.00  0.00    +0.241 A 
ATOM     18  N   LIG    1        2.462  -0.592   0.311  0.00  0.00    -0.126 NA
ATOM     19  N   LIG    1        3.769  -0.957   0.252  0.00  0.00    -0.181 N 
ATOM     20  C   LIG    1        3.874  -2.295   0.636  0.00  0.00    +0.219 A 
ATOM     21  N   LIG    1        2.676  -2.801   0.779  0.00  0.00    -0.180 NA
BRANCH  19  22
ATOM     22  C   LIG    1        4.770  -0.023  -0.167  0.00  0.00    +0.158 A 
ATOM     23  N   LIG    1        4.417   1.293  -0.249  0.00  0.00    -0.235 NA
ATOM     24  C   LIG    1        5.351   2.187  -0.652  0.00  0.00    +0.132 A 
ATOM     25  C   LIG    1        6.646   1.841  -0.994  0.00  0.00    +0.070 A 
ATOM     26  C   LIG    1        6.998   0.495  -0.922  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1        6.053  -0.451  -0.509  0.00  0.00    +0.049 A 
BRANCH  25  28
ATOM     28  C   LIG    1        7.580   2.835  -1.412  0.00  0.00    +0.101 C 
ATOM     29  N   LIG    1        8.345   3.640  -1.750  0.00  0.00    -0.191 NA
ENDBRANCH  25  28
ENDBRANCH  19  22
BRANCH  20  30
ATOM     30  N   LIG    1        5.021  -2.974   0.893  0.00  0.00    -0.327 N 
ATOM     31  H   LIG    1        4.830  -3.903   1.272  0.00  0.00    +0.145 HD
ATOM     32  H   LIG    1        5.691  -2.507   1.500  0.00  0.00    +0.145 HD
ENDBRANCH  20  30
ENDBRANCH   1  17
TORSDOF 7