REMARK  Name = BDB057402
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.503   1.358   0.961  0.00  0.00    -0.315 N 
ATOM      2  C   LIG    1        1.138   2.135   2.149  0.00  0.00    +0.107 C 
ATOM      3  C   LIG    1       -0.220   1.641   2.658  0.00  0.00    +0.024 C 
ATOM      4  C   LIG    1       -1.171   1.198   1.524  0.00  0.00    +0.009 C 
ATOM      5  C   LIG    1       -0.809   1.919   0.220  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1        0.640   1.641  -0.205  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1        5.124  -1.490  -1.273  0.00  0.00    +0.164 A 
ATOM      8  C   LIG    1        3.810  -1.794  -0.883  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        3.046  -0.809  -0.258  0.00  0.00    +0.062 A 
ATOM     10  C   LIG    1        3.569   0.487  -0.021  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1        4.886   0.775  -0.396  0.00  0.00    +0.080 A 
ATOM     12  N   LIG    1        5.454   1.965  -0.176  0.00  0.00    -0.235 NA
ATOM     13  C   LIG    1        4.703   2.885   0.438  0.00  0.00    +0.223 A 
ATOM     14  N   LIG    1        3.438   2.736   0.839  0.00  0.00    -0.220 NA
ATOM     15  C   LIG    1        2.865   1.541   0.598  0.00  0.00    +0.132 A 
ATOM     16  C   LIG    1        5.638  -0.212  -1.019  0.00  0.00    +0.078 A 
BRANCH   7  18
ATOM     17  C   LIG    1        7.155  -2.228  -2.296  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        5.822  -2.501  -1.885  0.00  0.00    -0.491 OA
ENDBRANCH   7  18
BRANCH   8  19
ATOM     19  O   LIG    1        3.374  -3.066  -1.152  0.00  0.00    -0.491 OA
ATOM     20  C   LIG    1        2.052  -3.407  -0.759  0.00  0.00    +0.277 C 
ENDBRANCH   8  19
ENDBRANCH   1  15
BRANCH   4  21
ATOM     21  C   LIG    1       -2.633   1.415   1.952  0.00  0.00    +0.113 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.619   0.873   1.020  0.00  0.00    -0.281 N 
ATOM     23  C   LIG    1       -4.209   1.713   0.099  0.00  0.00    +0.307 C 
ATOM     24  O   LIG    1       -3.957   2.914   0.013  0.00  0.00    -0.252 OA
ATOM     25  N   LIG    1       -5.140   1.168  -0.735  0.00  0.00    -0.269 N 
ATOM     26  H   LIG    1       -5.585   1.828  -1.356  0.00  0.00    +0.156 HD
ATOM     27  C   LIG    1       -5.577  -0.152  -0.691  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -4.939  -1.042   0.166  0.00  0.00    -0.009 A 
ATOM     29  C   LIG    1       -5.376  -2.372   0.221  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -6.447  -2.791  -0.570  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.077  -1.889  -1.428  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -6.640  -0.566  -1.492  0.00  0.00    +0.023 A 
ATOM     33  C   LIG    1       -3.749  -0.575   0.942  0.00  0.00    +0.146 C 
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 5