REMARK  Name = BDB015771
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.524   0.129   0.979  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -1.516   1.438   1.245  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.413   2.113   0.873  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.656   1.493   0.252  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.543   0.141  -0.004  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1       -0.542  -0.549   0.363  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.402   3.557   1.216  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        0.090   4.462   0.346  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        0.109   5.822   0.623  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        0.660   6.726  -0.374  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -0.393   6.350   1.811  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -0.401   7.541   2.108  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -0.957   5.362   2.765  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -0.956   4.057   2.466  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        1.628  -0.515  -0.602  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        1.938  -0.020  -1.433  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        1.413  -1.931  -0.877  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.627  -2.482  -1.589  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1        3.840  -2.637  -0.900  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        4.968  -3.135  -1.553  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.896  -3.480  -2.902  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.699  -3.326  -3.598  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        2.569  -2.827  -2.947  0.00  0.00    +0.005 A 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  24
ATOM     24  O   LIG    1       -2.669  -0.545   1.396  0.00  0.00    -0.422 OA
BRANCH  24  27
ATOM     25  C   LIG    1       -4.072  -1.392  -0.931  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -3.406  -2.354   0.011  0.00  0.00    -0.007 A 
ATOM     27  C   LIG    1       -2.700  -1.899   1.139  0.00  0.00    +0.152 A 
ATOM     28  C   LIG    1       -2.094  -2.806   2.022  0.00  0.00    +0.094 A 
ATOM     29  C   LIG    1       -2.155  -4.177   1.747  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1       -2.825  -4.636   0.612  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -3.446  -3.731  -0.249  0.00  0.00    +0.007 A 
BRANCH  28  32
ATOM     32  C   LIG    1       -1.417  -2.361   3.205  0.00  0.00    +0.103 C 
ATOM     33  N   LIG    1       -0.868  -2.022   4.170  0.00  0.00    -0.191 NA
ENDBRANCH  28  32
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 7