REMARK  Name = BDB014570
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.063  -1.989  -0.014  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.388  -1.277  -0.988  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.927  -0.682  -1.609  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.503  -2.434   0.985  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -2.553  -2.191  -0.321  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -3.359  -2.502   0.811  0.00  0.00    -0.482 OA
BRANCH   6  16
ATOM      7  C   LIG    1       -6.071  -2.219  -0.893  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -6.038  -1.043   0.014  0.00  0.00    -0.022 A 
ATOM      9  C   LIG    1       -5.033  -0.734   0.990  0.00  0.00    +0.044 A 
ATOM     10  C   LIG    1       -5.428   0.443   1.637  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1       -4.676   1.013   2.680  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -3.506   0.364   3.085  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -3.084  -0.804   2.459  0.00  0.00    +0.046 A 
ATOM     14  N   LIG    1       -6.611   0.844   1.056  0.00  0.00    -0.349 N 
ATOM     15  C   LIG    1       -7.362   2.021   1.431  0.00  0.00    +0.149 C 
ATOM     16  C   LIG    1       -3.821  -1.341   1.398  0.00  0.00    +0.131 A 
ATOM     17  C   LIG    1       -6.985  -0.040   0.081  0.00  0.00    +0.090 A 
ENDBRANCH   6  16
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1        0.990  -0.861  -0.776  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.608  -0.348  -2.078  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        0.874   0.816  -2.507  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        1.308   1.560  -2.039  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        3.104   0.019  -1.967  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.302   1.246  -1.160  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        3.746   0.942   0.219  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.200   0.540   0.356  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        6.145   0.893  -0.624  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        7.489   0.534  -0.455  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        7.898  -0.150   0.689  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.968  -0.485   1.670  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.707   1.598  -1.881  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        5.626  -0.139   1.507  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.283   2.165  -1.773  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 8