REMARK  Name = BDB022303
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.102  -4.533  -0.800  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.336  -3.149  -0.890  0.00  0.00    -0.311 N 
ATOM      3  C   LIG    1        0.565  -2.088  -0.577  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        0.135  -0.753  -0.689  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        1.071   0.279  -0.458  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.397   0.021  -0.078  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.784  -1.307   0.074  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.275  -0.452  -1.065  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -2.055  -1.491  -1.397  0.00  0.00    +0.093 A 
ATOM     10  C   LIG    1        1.887  -2.349  -0.182  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -1.621  -2.901  -1.342  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -2.420  -3.773  -1.678  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        3.253   1.109   0.182  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        3.034   1.924  -0.389  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1        4.405   1.220   0.993  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1        5.458   2.091   0.656  0.00  0.00    +0.110 A 
ATOM     17  C   LIG    1        6.577   2.116   1.479  0.00  0.00    +0.148 A 
ATOM     18 CL   LIG    1        7.939   3.132   1.190  0.00  0.00    -0.061 Cl
ATOM     19  N   LIG    1        6.728   1.356   2.587  0.00  0.00    -0.242 NA
ATOM     20  C   LIG    1        5.712   0.530   2.894  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1        4.556   0.427   2.139  0.00  0.00    +0.044 A 
BRANCH  16  22
ATOM     22  C   LIG    1        5.383   2.928  -0.498  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1        5.262   3.599  -1.437  0.00  0.00    -0.191 NA
ENDBRANCH  16  22
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  24
ATOM     24  N   LIG    1       -1.673   0.886  -1.040  0.00  0.00    -0.331 N 
ATOM     25  H   LIG    1       -1.299   1.361  -0.218  0.00  0.00    +0.147 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.103   1.268  -1.268  0.00  0.00    +0.092 C 
ATOM     27  C   LIG    1       -3.336   2.553  -2.055  0.00  0.00    +0.036 C 
ATOM     28  C   LIG    1       -3.666   1.235  -2.678  0.00  0.00    +0.036 C 
BRANCH  26  29
ATOM     29  C   LIG    1       -4.037   1.035  -0.061  0.00  0.00    +0.152 A 
ATOM     30  N   LIG    1       -3.760   1.697   1.089  0.00  0.00    -0.238 NA
ATOM     31  C   LIG    1       -4.565   1.462   2.142  0.00  0.00    +0.114 A 
ATOM     32  C   LIG    1       -5.628   0.595   2.107  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -5.834  -0.036   0.906  0.00  0.00    +0.114 A 
ATOM     34  N   LIG    1       -5.064   0.164  -0.179  0.00  0.00    -0.238 NA
ENDBRANCH  26  29
ENDBRANCH  24  26
ENDBRANCH   8  24
TORSDOF 6