REMARK  Name = BDB028381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.706  -3.437  -0.786  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        1.485  -2.920  -0.209  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        1.124  -1.599  -0.049  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -0.143  -1.635   0.516  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -0.430  -3.009   0.671  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1        0.558  -3.791   0.238  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -0.968  -0.482   0.824  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -2.270  -0.406   0.306  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -3.079   0.706   0.581  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.584   1.729   1.386  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -3.438   2.891   1.683  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -4.696   2.869   1.135  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -5.298   3.666   1.318  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -5.206   1.895   0.336  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -3.039   3.814   2.384  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -1.291   1.656   1.916  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -4.461   0.865   0.056  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -0.486   0.551   1.636  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -5.061  -0.208  -0.852  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -4.569  -0.040  -2.220  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -5.052  -0.693  -2.835  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -3.578  -0.257  -2.284  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1        1.957  -0.471  -0.477  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        3.071  -0.025   0.285  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        3.837   1.062  -0.190  0.00  0.00    -0.014 A 
ATOM     26  C   LIG    1        4.938   1.507   0.552  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1        5.248   0.870   1.741  0.00  0.00    +0.111 A 
ATOM     28  N   LIG    1        4.546  -0.166   2.238  0.00  0.00    -0.263 NA
ATOM     29  C   LIG    1        3.484   1.687  -1.396  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        2.383   1.251  -2.131  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        3.483  -0.581   1.509  0.00  0.00    +0.119 A 
ATOM     32  C   LIG    1        1.623   0.179  -1.674  0.00  0.00    +0.011 A 
ENDBRANCH   3  23
TORSDOF 4