REMARK  Name = BDB032039
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.250   0.122   0.244  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -1.057  -0.120   0.028  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.793   0.966  -0.213  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -3.170   1.021  -0.473  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -3.545   2.369  -0.660  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -2.367   3.130  -0.522  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -2.260   4.556  -0.623  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.665   2.796  -0.891  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.316   2.256  -0.247  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        0.009   2.423  -0.017  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        0.803   1.359   0.231  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -4.037  -0.142  -0.502  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -4.736  -0.303  -1.853  0.00  0.00    +0.053 C 
ATOM     14  C   LIG    1       -5.583  -1.573  -1.868  0.00  0.00    +0.162 C 
ATOM     15  O   LIG    1       -6.010  -1.982  -0.567  0.00  0.00    -0.380 OA
ATOM     16  C   LIG    1       -6.333  -0.879   0.272  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -5.066  -0.116   0.639  0.00  0.00    +0.053 C 
ENDBRANCH   4  12
BRANCH   1  18
ATOM     18  N   LIG    1        1.010  -1.016   0.507  0.00  0.00    -0.283 N 
ATOM     19  H   LIG    1        0.397  -1.817   0.469  0.00  0.00    +0.155 HD
BRANCH  18  27
ATOM     20  C   LIG    1        7.899   1.327   0.702  0.00  0.00    +0.067 C 
ATOM     21  C   LIG    1        6.900   0.224   0.856  0.00  0.00    +0.057 A 
ATOM     22  N   LIG    1        5.596   0.513   0.640  0.00  0.00    -0.249 NA
ATOM     23  C   LIG    1        4.709  -0.495   0.784  0.00  0.00    +0.091 A 
ATOM     24  C   LIG    1        5.133  -1.792   1.144  0.00  0.00    +0.090 A 
ATOM     25  C   LIG    1        4.182  -2.791   1.280  0.00  0.00    +0.035 A 
ATOM     26  C   LIG    1        2.812  -2.551   1.070  0.00  0.00    -0.027 A 
ATOM     27  C   LIG    1        2.377  -1.263   0.697  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        1.851  -3.697   1.252  0.00  0.00    +0.046 C 
ATOM     29  N   LIG    1        6.432  -2.077   1.357  0.00  0.00    -0.252 NA
ATOM     30  C   LIG    1        3.353  -0.261   0.575  0.00  0.00    +0.053 A 
ATOM     31  C   LIG    1        7.301  -1.053   1.208  0.00  0.00    +0.134 A 
ENDBRANCH  18  27
ENDBRANCH   1  18
TORSDOF 3