REMARK  Name = BDB003985
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.643   3.296   1.974  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -2.249   2.253   1.198  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -1.592   1.469   0.243  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -2.514   0.555  -0.274  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -2.144  -0.366  -1.230  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -0.814  -0.346  -1.670  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.125   0.578  -1.149  0.00  0.00    -0.045 A 
ATOM      8  N   LIG    1       -3.748   0.784   0.361  0.00  0.00    -0.280 N 
ATOM      9  C   LIG    1       -0.278   1.507  -0.176  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -3.589   1.834   1.294  0.00  0.00    +0.331 A 
ATOM     11  O   LIG    1       -4.454   2.290   2.026  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -4.998   0.073   0.159  0.00  0.00    +0.178 C 
ATOM     13  C   LIG    1       -4.901  -1.416   0.534  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1       -3.893  -1.934   1.020  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -6.025  -2.207   0.409  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -5.878  -3.094   0.877  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -7.352  -1.851   0.401  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -8.168  -2.528   1.024  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -7.770  -0.605  -0.348  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1       -6.898  -0.335  -1.565  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1       -5.572   0.352  -1.236  0.00  0.00    +0.035 C 
ENDBRANCH   8  12
BRANCH   7  22
ATOM     22  C   LIG    1        1.555   0.564  -1.637  0.00  0.00    +0.035 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.326  -0.713  -1.275  0.00  0.00    +0.005 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.470  -0.998   0.227  0.00  0.00    +0.011 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.167   0.095   1.031  0.00  0.00    +0.120 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.568   0.360   0.541  0.00  0.00    +0.308 C 
ATOM     27  O   LIG    1        4.879   1.346  -0.111  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1        5.393  -0.653   0.913  0.00  0.00    -0.459 OA
BRANCH  28  29
ATOM     29  C   LIG    1        6.792  -0.650   0.530  0.00  0.00    +0.105 C 
ATOM     30  C   LIG    1        6.949  -0.705  -0.994  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        7.534   0.544   1.140  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        7.364  -1.943   1.130  0.00  0.00    +0.055 C 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 8