REMARK  Name = BDB013154
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.241   0.101  -0.019  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.367  -1.022  -0.011  0.00  0.00    +0.174 A 
ATOM      3  N   LIG    1        1.017  -0.764   0.008  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.413  -1.984   0.090  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.320  -2.933   0.065  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.482   0.526  -0.011  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        1.281   1.557   0.001  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.555  -2.326  -0.006  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.643   1.315  -0.011  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.984  -1.637   1.819  0.00  0.00    +0.173 C 
ATOM     11  N   LIG    1        5.416  -0.755   0.757  0.00  0.00    -0.267 N 
ATOM     12  C   LIG    1        4.665   0.058  -0.068  0.00  0.00    +0.074 A 
ATOM     13  C   LIG    1        5.590   0.731  -0.848  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        6.844   0.260  -0.433  0.00  0.00    +0.135 A 
ATOM     15  N   LIG    1        6.747  -0.634   0.549  0.00  0.00    -0.179 NA
ENDBRANCH   1  12
BRANCH   6  16
ATOM     16  N   LIG    1       -0.881   0.723  -0.015  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -1.049   1.704   0.213  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.636   0.422  -1.229  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.056   0.890  -1.063  0.00  0.00    -0.024 A 
ATOM     20  C   LIG    1       -3.970   0.211  -0.262  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.791  -0.994   0.585  0.00  0.00    +0.080 C 
ATOM     22  C   LIG    1       -5.256  -1.294   0.903  0.00  0.00    +0.234 C 
ATOM     23  O   LIG    1       -6.031  -0.085   0.745  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1       -5.263   0.685  -0.091  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1       -5.709   1.841  -0.695  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -4.815   2.537  -1.507  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.502   2.069  -1.688  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4