REMARK  Name = BDB061969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.390  -0.484  -0.009  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1        1.248   0.173   0.410  0.00  0.00    -0.327 N 
ATOM      3  C   LIG    1        1.165   1.178   1.444  0.00  0.00    +0.151 C 
ATOM      4  C   LIG    1        0.174  -0.332  -0.289  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1        0.724  -1.335  -1.074  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -0.107  -2.081  -1.918  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -1.478  -1.786  -1.945  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.025  -0.768  -1.149  0.00  0.00    +0.036 A 
ATOM      9  C   LIG    1       -1.196  -0.022  -0.302  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1        2.075  -1.430  -0.877  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        6.380   0.248   1.371  0.00  0.00    -0.048 A 
ATOM     12  C   LIG    1        5.592   1.308   0.907  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        4.290   1.079   0.453  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        3.750  -0.214   0.462  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        4.550  -1.276   0.900  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        5.852  -1.048   1.355  0.00  0.00    +0.004 A 
BRANCH  11  18
ATOM     17  C   LIG    1        8.794   0.386   0.700  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1        7.792   0.492   1.840  0.00  0.00    +0.032 C 
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   8  19
ATOM     19  N   LIG    1       -3.418  -0.560  -1.256  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1       -3.896  -1.166  -1.913  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1       -4.179   0.395  -0.614  0.00  0.00    +0.250 C 
ATOM     22  O   LIG    1       -3.780   1.233   0.188  0.00  0.00    -0.270 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -5.647   0.359  -0.884  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1       -6.224   0.084  -2.134  0.00  0.00    +0.053 A 
ATOM     25 CL   LIG    1       -5.304  -0.231  -3.562  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -7.619   0.084  -2.277  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -8.448   0.364  -1.188  0.00  0.00    +0.034 A 
ATOM     28  C   LIG    1       -7.875   0.651   0.056  0.00  0.00    +0.127 A 
ATOM     29  C   LIG    1       -6.483   0.652   0.211  0.00  0.00    +0.047 A 
BRANCH  28  30
ATOM     30  N   LIG    1       -8.740   0.950   1.204  0.00  0.00    +0.056 N 
ATOM     31  O   LIG    1       -9.956   1.054   0.993  0.00  0.00    -0.126 OA
ATOM     32  O   LIG    1       -8.203   1.072   2.313  0.00  0.00    -0.126 OA
ENDBRANCH  28  30
ENDBRANCH  21  23
ENDBRANCH   8  19
TORSDOF 5