REMARK  Name = BDB032958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.198   1.442  -3.168  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.077   0.541  -2.345  0.00  0.00    +0.249 C 
ATOM      3  N   LIG    1       -0.092   0.425  -1.385  0.00  0.00    -0.281 N 
ATOM      4  H   LIG    1       -0.173  -0.370  -0.749  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.056  -0.589  -2.402  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1       -2.700  -1.150  -1.271  0.00  0.00    -0.018 A 
ATOM      7  C   LIG    1       -3.580  -2.228  -1.493  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -3.835  -2.712  -2.780  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.218  -2.131  -3.881  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.334  -1.073  -3.693  0.00  0.00    +0.013 A 
BRANCH   6  11
ATOM     11  C   LIG    1       -2.451  -0.614   0.121  0.00  0.00    +0.085 C 
ATOM     12  N   LIG    1       -1.206  -1.185   0.692  0.00  0.00    -0.309 NA
ATOM     13  H   LIG    1       -1.309  -2.204   0.669  0.00  0.00    +0.123 HD
ATOM     14  C   LIG    1       -1.223  -0.768   2.104  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1       -2.685  -0.583   2.491  0.00  0.00    +0.017 C 
ATOM     16  C   LIG    1       -3.465  -0.903   1.225  0.00  0.00    +0.025 C 
ENDBRANCH   6  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1        0.975   1.312  -1.129  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        1.827   0.992  -0.057  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        2.922   1.803   0.291  0.00  0.00    +0.041 A 
ATOM     20  C   LIG    1        3.141   2.956  -0.469  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        2.302   3.283  -1.538  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        1.224   2.464  -1.867  0.00  0.00    +0.023 A 
BRANCH  19  23
ATOM     23  N   LIG    1        3.760   1.455   1.385  0.00  0.00    -0.234 N 
ATOM     24  C   LIG    1        4.964   2.048   1.746  0.00  0.00    +0.407 C 
ATOM     25  O   LIG    1        5.543   2.990   1.229  0.00  0.00    -0.226 OA
ATOM     26  O   LIG    1        5.496   1.395   2.832  0.00  0.00    -0.448 OA
ATOM     27  C   LIG    1        4.511   0.498   3.336  0.00  0.00    +0.253 C 
ATOM     28  C   LIG    1        3.554   0.292   2.192  0.00  0.00    +0.158 C 
ENDBRANCH  19  23
ENDBRANCH   3  17
TORSDOF 4