REMARK  Name = BDB020928
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.076   0.732   1.901  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1       -1.204   0.600   1.395  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1       -1.869   1.790   0.849  0.00  0.00    +0.126 C 
ATOM      4  C   LIG    1       -2.961   1.450  -0.178  0.00  0.00    +0.125 C 
ATOM      5  N   LIG    1       -3.963   0.546   0.411  0.00  0.00    -0.312 N 
ATOM      6  C   LIG    1       -3.471  -0.493   1.329  0.00  0.00    +0.125 C 
ATOM      7  C   LIG    1       -1.939  -0.664   1.266  0.00  0.00    +0.126 C 
ATOM      8  O   LIG    1        0.647   1.823   1.964  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -5.084   0.286  -0.367  0.00  0.00    +0.121 A 
ATOM     10  N   LIG    1       -5.121   0.759  -1.634  0.00  0.00    -0.239 NA
ATOM     11  C   LIG    1       -6.221   0.523  -2.391  0.00  0.00    +0.131 A 
ATOM     12  C   LIG    1       -7.329  -0.172  -1.946  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1       -7.305  -0.647  -0.641  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -6.178  -0.411   0.151  0.00  0.00    +0.045 A 
BRANCH  12  15
ATOM     15  C   LIG    1       -8.453  -0.382  -2.799  0.00  0.00    +0.101 C 
ATOM     16  N   LIG    1       -9.367  -0.557  -3.492  0.00  0.00    -0.191 NA
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  17
ATOM     17  C   LIG    1        0.771  -0.539   2.365  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.205  -0.284   2.825  0.00  0.00    +0.083 C 
BRANCH  18  25
ATOM     19  C   LIG    1        7.322  -0.412  -3.263  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        6.437  -0.573  -2.062  0.00  0.00    -0.050 A 
ATOM     21  C   LIG    1        5.594   0.469  -1.659  0.00  0.00    +0.018 A 
ATOM     22  C   LIG    1        4.752   0.294  -0.555  0.00  0.00    +0.065 A 
ATOM     23  C   LIG    1        4.720  -0.909   0.155  0.00  0.00    +0.078 A 
ATOM     24  N   LIG    1        3.880  -1.113   1.264  0.00  0.00    -0.234 NA
ATOM     25  C   LIG    1        3.132  -0.128   1.642  0.00  0.00    +0.111 A 
ATOM     26  N   LIG    1        3.108   1.086   1.010  0.00  0.00    -0.310 N 
ATOM     27  H   LIG    1        2.446   1.801   1.308  0.00  0.00    +0.170 HD
ATOM     28  C   LIG    1        5.553  -1.948  -0.260  0.00  0.00    +0.029 A 
ATOM     29  C   LIG    1        3.855   1.372  -0.104  0.00  0.00    +0.259 A 
ATOM     30  O   LIG    1        3.778   2.442  -0.696  0.00  0.00    -0.267 OA
ATOM     31  C   LIG    1        6.401  -1.786  -1.362  0.00  0.00    +0.005 A 
ENDBRANCH  18  25
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5