REMARK  Name = BDB051855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.155  -0.245   0.875  0.00  0.00    -0.293 N 
ATOM      2  C   LIG    1       -0.691   0.551   0.125  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -0.827   1.756   0.230  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.402  -0.328  -0.826  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -0.926  -1.632  -0.585  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1       -1.377  -2.719  -1.317  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -2.322  -2.489  -2.312  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.796  -1.188  -2.555  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -2.347  -0.074  -1.813  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        0.080  -1.643   0.517  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -2.945   1.240  -2.186  0.00  0.00    +0.242 C 
ATOM     12  O   LIG    1       -3.667   1.339  -3.175  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -2.708   2.341  -1.426  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -3.070   3.225  -1.754  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -2.021   2.375  -0.675  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  16
ATOM     16  C   LIG    1        1.034   0.248   1.920  0.00  0.00    +0.111 C 
BRANCH  16  18
ATOM     17  C   LIG    1        3.199   0.044   0.596  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1        2.277   0.978   1.381  0.00  0.00    +0.000 C 
ATOM     19  C   LIG    1        3.047   1.614   2.540  0.00  0.00    +0.009 C 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 3