REMARK  Name = BDB017365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.446   0.976   0.102  0.00  0.00    -0.314 N 
ATOM      2  H   LIG    1       -1.680   1.615   0.862  0.00  0.00    +0.152 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.359   1.183  -0.970  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -3.691   0.712  -0.914  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -4.530   1.137  -1.956  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -5.870   0.784  -1.958  0.00  0.00    -0.307 N 
ATOM      7  H   LIG    1       -6.436   1.140  -2.713  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1       -6.474   0.049  -0.992  0.00  0.00    +0.254 A 
ATOM      9  C   LIG    1       -5.597  -0.470   0.098  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1       -6.301  -1.331   1.117  0.00  0.00    +0.041 C 
ATOM     11  C   LIG    1       -5.454  -1.622   2.352  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1       -4.035  -1.979   1.946  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1       -3.384  -0.829   1.171  0.00  0.00    +0.036 C 
ATOM     14  O   LIG    1       -7.677  -0.191  -1.024  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1       -4.162   1.920  -2.994  0.00  0.00    -0.237 NA
ATOM     16  C   LIG    1       -2.889   2.343  -3.009  0.00  0.00    +0.115 A 
ATOM     17  C   LIG    1       -4.274  -0.191   0.126  0.00  0.00    -0.027 A 
ATOM     18  C   LIG    1       -1.973   2.023  -2.028  0.00  0.00    +0.043 A 
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1        2.741   0.298  -0.053  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        1.917  -0.126  -1.101  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        0.537   0.105  -1.062  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -0.048   0.783   0.012  0.00  0.00    +0.031 A 
ATOM     23  C   LIG    1        0.775   1.166   1.075  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        2.158   0.938   1.039  0.00  0.00    +0.025 A 
BRANCH  19  27
ATOM     25  O   LIG    1        5.008   1.150   1.679  0.00  0.00    -0.270 OA
ATOM     26  C   LIG    1        5.125   0.423   0.700  0.00  0.00    +0.248 C 
ATOM     27  N   LIG    1        4.120   0.025  -0.164  0.00  0.00    -0.282 N 
ATOM     28  H   LIG    1        4.406  -0.455  -1.007  0.00  0.00    +0.155 HD
BRANCH  26  29
ATOM     29  C   LIG    1        6.486  -0.068   0.342  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1        6.691  -1.348  -0.192  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        7.983  -1.770  -0.513  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        9.070  -0.922  -0.295  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.872   0.345   0.254  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        7.583   0.770   0.578  0.00  0.00    +0.013 A 
ENDBRANCH  26  29
ENDBRANCH  19  27
ENDBRANCH   1  22
TORSDOF 4