REMARK  Name = BDB024573
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.284  -0.552  -1.615  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.519   0.117  -0.643  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.160   1.179   0.160  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.069   2.535  -0.550  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.622   1.217   1.587  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.130   1.453   1.588  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.429   0.518   0.645  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.043   0.287   0.817  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.203   0.800   1.768  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.998   0.306   1.524  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.959  -0.547   0.433  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.349  -0.556  -0.034  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.985  -1.206  -1.091  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.356  -0.966  -1.267  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.104  -0.122  -0.429  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.936  -1.508  -2.297  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.007  -1.365  -0.146  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -3.313  -0.681  -0.541  0.00  0.00    +0.030 C 
ATOM     19  C   LIG    1       -4.308  -1.831  -0.757  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -3.770  -3.022   0.070  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1       -3.561  -4.135  -0.957  0.00  0.00    +0.084 C 
ATOM     22  N   LIG    1       -3.355  -3.418  -2.212  0.00  0.00    -0.315 NA
ATOM     23  H   LIG    1       -3.502  -4.034  -3.011  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -4.347  -2.346  -2.195  0.00  0.00    +0.084 C 
ATOM     25  C   LIG    1       -2.466  -2.537   0.720  0.00  0.00    +0.030 C 
ENDBRANCH  11  17
BRANCH   1  27
ATOM     26  C   LIG    1        7.367  -0.663  -2.712  0.00  0.00    +0.282 C 
ATOM     27  O   LIG    1        6.541  -0.021  -1.740  0.00  0.00    -0.453 OA
ENDBRANCH   1  27
BRANCH  10  28
ATOM     28  C   LIG    1       -2.194   0.646   2.368  0.00  0.00    +0.109 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.932   1.911   1.969  0.00  0.00    -0.040 A 
ATOM     30  C   LIG    1       -4.321   1.991   2.166  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -5.025   3.152   1.839  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.348   4.256   1.328  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.968   4.203   1.150  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -2.264   3.042   1.476  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 4