REMARK  Name = BDB062297
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.350  -1.557   0.006  0.00  0.00    +0.073 C 
ATOM      2  N   LIG    1        1.552  -0.608   0.806  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1        1.884  -0.677   1.773  0.00  0.00    +0.146 HD
ATOM      4  C   LIG    1        1.584   0.755   0.466  0.00  0.00    +0.084 A 
ATOM      5  C   LIG    1        0.316   1.387   0.045  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.276   2.759  -0.244  0.00  0.00    +0.054 A 
ATOM      7  N   LIG    1        1.467   3.536  -0.140  0.00  0.00    -0.308 N 
ATOM      8  C   LIG    1        2.684   2.971   0.225  0.00  0.00    +0.295 A 
ATOM      9  O   LIG    1        3.734   3.613   0.289  0.00  0.00    -0.264 OA
ATOM     10  C   LIG    1        1.435   4.960  -0.438  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -0.944   3.332  -0.635  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -2.104   2.556  -0.742  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1       -2.080   1.187  -0.471  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1       -0.864   0.624  -0.074  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1        2.700   1.505   0.536  0.00  0.00    +0.207 A 
ATOM     16  O   LIG    1        3.917   0.959   0.931  0.00  0.00    -0.485 OA
ATOM     17  C   LIG    1        4.386  -0.014  -0.007  0.00  0.00    +0.231 C 
ATOM     18  C   LIG    1        3.849  -1.405   0.318  0.00  0.00    +0.063 C 
ENDROOT
BRANCH   1  20
ATOM     19  C   LIG    1        0.457  -3.275  -0.078  0.00  0.00    +0.006 C 
ATOM     20  C   LIG    1        1.898  -2.994   0.327  0.00  0.00    +0.019 C 
ENDBRANCH   1  20
BRANCH  13  21
ATOM     21  N   LIG    1       -3.281   0.456  -0.553  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1       -3.920   0.832  -1.251  0.00  0.00    +0.152 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.655  -0.786   0.013  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1       -4.485  -1.687  -0.678  0.00  0.00    +0.110 A 
ATOM     25  C   LIG    1       -4.769  -2.908  -0.078  0.00  0.00    +0.148 A 
ATOM     26 CL   LIG    1       -5.768  -4.107  -0.809  0.00  0.00    -0.061 Cl
ATOM     27  N   LIG    1       -4.302  -3.293   1.131  0.00  0.00    -0.242 NA
ATOM     28  C   LIG    1       -3.510  -2.418   1.777  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1       -3.165  -1.178   1.266  0.00  0.00    +0.044 A 
BRANCH  24  30
ATOM     30  C   LIG    1       -5.017  -1.363  -1.963  0.00  0.00    +0.104 C 
ATOM     31  N   LIG    1       -5.436  -1.040  -2.996  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
ENDBRANCH  21  23
ENDBRANCH  13  21
TORSDOF 4