REMARK  Name = BDB045985
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.382   1.097   1.694  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -3.352   0.831   0.799  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -2.619  -0.406   0.460  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1       -1.730  -0.100  -0.554  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -1.693   1.312  -0.856  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -2.765  -1.495   0.984  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -2.791   1.848   0.004  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -3.236   3.158   0.077  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -4.264   3.450   0.966  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.826   2.436   1.762  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -4.835  -1.199   2.491  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -4.074  -1.593   1.938  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -5.266  -1.807   3.172  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -5.080   0.134   2.593  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1       -5.891   0.530   3.425  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  C   LIG    1       -0.726  -1.029  -1.050  0.00  0.00    +0.124 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.532  -1.112  -0.159  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.330   0.132  -0.126  0.00  0.00    -0.296 NA
ATOM     19  C   LIG    1        2.126   0.335  -1.352  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1        3.372  -0.518  -1.459  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        3.972  -1.071  -0.313  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        5.144  -1.829  -0.437  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        5.732  -2.017  -1.687  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.152  -1.456  -2.821  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.321  -0.906   1.038  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1        3.981  -0.707  -2.709  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        2.230   0.174   1.041  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 4