REMARK  Name = BDB028524
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.034   0.382  -1.127  0.00  0.00    +0.038 C 
ATOM      2  C   LIG    1       -2.909  -0.080  -0.180  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1       -1.660   0.663  -0.383  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1       -0.495   0.017   0.020  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1        0.652   0.751  -0.162  0.00  0.00    -0.297 N 
ATOM      6  H   LIG    1        0.637   1.275  -1.024  0.00  0.00    +0.150 HD
ATOM      7  O   LIG    1       -0.476  -1.115   0.493  0.00  0.00    -0.253 OA
ATOM      8  C   LIG    1       -1.786   2.123  -0.360  0.00  0.00    +0.109 C 
ATOM      9  C   LIG    1       -2.884   2.615  -1.297  0.00  0.00    +0.020 C 
ATOM     10  C   LIG    1       -4.207   1.909  -1.016  0.00  0.00    +0.011 C 
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1       -8.659  -0.244   0.640  0.00  0.00    +0.152 C 
ATOM     12  N   LIG    1       -7.527  -0.785  -0.094  0.00  0.00    -0.318 N 
ATOM     13  C   LIG    1       -7.615  -2.070  -0.623  0.00  0.00    +0.251 A 
ATOM     14  O   LIG    1       -8.589  -2.811  -0.526  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -6.416  -2.545  -1.359  0.00  0.00    +0.070 A 
ATOM     16  C   LIG    1       -5.340  -1.758  -1.482  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1       -5.307  -0.425  -0.902  0.00  0.00    -0.026 A 
ATOM     18  C   LIG    1       -6.397   0.005  -0.242  0.00  0.00    +0.092 A 
ENDBRANCH   1  17
BRANCH   5  19
ATOM     19  C   LIG    1        1.951   0.164   0.169  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.190   0.113   1.689  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.158   1.443   2.227  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        1.317   1.824   1.917  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        3.489  -0.639   2.086  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.760   0.102   2.217  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        5.175   0.872   1.042  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        5.690   0.027  -0.103  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        6.270  -1.231   0.145  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        6.779  -1.983  -0.921  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        6.734  -1.482  -2.222  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.179  -0.227  -2.467  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.292  -1.798   1.545  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        5.664   0.527  -1.413  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        5.867  -0.782   2.622  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 6