REMARK  Name = BDB018680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.809   0.130   0.441  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.105   0.282  -0.764  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        0.005   1.124  -0.831  0.00  0.00    +0.037 A 
ATOM      4  N   LIG    1        0.690   1.269  -2.040  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1        0.292   0.890  -2.892  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1        1.844   1.990  -2.193  0.00  0.00    +0.225 C 
ATOM      7  C   LIG    1        2.567   2.401  -0.917  0.00  0.00    +0.069 C 
ATOM      8  C   LIG    1        3.450   1.232  -0.453  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1        4.564   1.870   0.306  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1        4.626   3.310  -0.041  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1        1.558   2.826   0.162  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1        3.617   3.490  -1.167  0.00  0.00    +0.037 C 
ATOM     13  O   LIG    1        2.292   2.194  -3.320  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        0.422   1.846   0.290  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1       -0.282   1.710   1.490  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -1.383   0.853   1.565  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1       -2.855  -2.182   0.559  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -2.975  -0.767   0.521  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -4.259  -0.185   0.532  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1       -5.405  -0.973   0.587  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -5.284  -2.355   0.640  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.019  -2.954   0.631  0.00  0.00    +0.024 A 
BRANCH  17  25
ATOM     23  C   LIG    1       -1.909  -5.123  -0.089  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1       -1.053  -3.988   0.390  0.00  0.00    +0.214 C 
ATOM     25  N   LIG    1       -1.555  -2.737   0.577  0.00  0.00    -0.285 N 
ATOM     26  H   LIG    1       -0.800  -2.086   0.766  0.00  0.00    +0.155 HD
ATOM     27  O   LIG    1        0.153  -4.164   0.590  0.00  0.00    -0.276 OA
ENDBRANCH  17  25
ENDBRANCH   1  18
BRANCH   9  28
ATOM     28  C   LIG    1        5.528   1.202   0.951  0.00  0.00    +0.169 C 
ATOM     29  N   LIG    1        6.364   0.634   1.514  0.00  0.00    -0.174 NA
ENDBRANCH   9  28
TORSDOF 3