REMARK  Name = BDB028249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.555   0.074  -0.619  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1        0.256  -0.374  -0.862  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -0.820   0.525  -0.860  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -0.506   1.864  -0.619  0.00  0.00    +0.119 A 
ATOM      5  N   LIG    1        0.741   2.338  -0.387  0.00  0.00    -0.259 NA
ATOM      6  C   LIG    1        1.746   1.432  -0.402  0.00  0.00    +0.157 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.200   0.080  -1.098  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1       -3.232   0.404  -0.194  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -4.550  -0.025  -0.413  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -4.843  -0.776  -1.547  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -6.227  -1.216  -1.785  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -7.151  -0.830  -0.848  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -8.111  -1.132  -0.985  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -6.898  -0.111   0.278  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -6.523  -1.881  -2.771  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -3.835  -1.109  -2.458  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -5.677   0.277   0.509  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -2.525  -0.684  -2.231  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -5.425   1.076   1.788  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -4.877   0.200   2.824  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -3.938  -0.108   2.589  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -4.808   0.716   3.700  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3   7
BRANCH   1  23
ATOM     23  O   LIG    1        2.550  -0.874  -0.666  0.00  0.00    -0.454 OA
BRANCH  23  30
ATOM     24  C   LIG    1        7.200  -0.002   2.481  0.00  0.00    +0.045 C 
ATOM     25  C   LIG    1        5.988  -0.228   1.618  0.00  0.00    -0.032 A 
ATOM     26  C   LIG    1        6.063  -0.234   0.209  0.00  0.00    +0.050 A 
ATOM     27 CL   LIG    1        7.598   0.033  -0.561  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        4.914  -0.451  -0.581  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        4.996  -0.465  -2.085  0.00  0.00    +0.049 C 
ATOM     30  C   LIG    1        3.687  -0.636   0.074  0.00  0.00    +0.133 A 
ATOM     31  C   LIG    1        3.606  -0.658   1.469  0.00  0.00    +0.047 A 
ATOM     32  C   LIG    1        4.749  -0.449   2.235  0.00  0.00    +0.008 A 
ENDBRANCH  23  30
ENDBRANCH   1  23
TORSDOF 5