REMARK  Name = BDB003795
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.501   0.078  -0.077  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.686   0.661   0.164  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.809  -0.029  -0.104  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        1.762  -1.290  -0.651  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        0.512  -1.810  -0.870  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -0.623  -1.155  -0.583  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -1.609   0.856   0.250  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1       -1.286   1.743   0.607  0.00  0.00    +0.155 HD
BRANCH   7  12
ATOM      9  C   LIG    1       -5.801   0.434  -0.012  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1       -4.981  -0.572  -0.527  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -3.588  -0.444  -0.448  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -2.991   0.684   0.126  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1       -3.837   1.691   0.622  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -5.230   1.575   0.549  0.00  0.00    +0.017 A 
BRANCH   9  16
ATOM     15  O   LIG    1       -8.000   1.283  -0.322  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1       -7.277   0.336  -0.071  0.00  0.00    +0.337 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -7.735  -0.898   0.231  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -7.056  -1.507   0.577  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH   9  16
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1        3.001   0.643   0.161  0.00  0.00    -0.298 N 
ATOM     20  H   LIG    1        2.803   1.604   0.428  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1        4.311   0.243   0.490  0.00  0.00    +0.051 A 
ATOM     22  C   LIG    1        5.370   1.171   0.392  0.00  0.00    +0.062 A 
ATOM     23 CL   LIG    1        5.066   2.817  -0.058  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        6.693   0.803   0.660  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        6.986  -0.507   1.030  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.958  -1.439   1.136  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.636  -1.067   0.866  0.00  0.00    +0.025 A 
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 6