REMARK  Name = BDB015782
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.642  -0.767   2.224  0.00  0.00    +0.320 A 
ATOM      2  N   LIG    1       -2.717  -0.499   1.472  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -2.500  -0.367   0.149  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -1.245  -0.502  -0.408  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.206  -0.767   0.458  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1       -0.391  -0.912   1.772  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.688  -0.084  -0.697  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -4.864  -0.658  -0.374  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -6.021  -0.451  -1.112  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -7.239  -1.124  -0.691  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -6.050   0.368  -2.237  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -7.037   0.581  -2.935  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.764   1.025  -2.586  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.666   0.803  -1.851  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     15  C   LIG    1       -3.109  -0.718   4.041  0.00  0.00    +0.280 C 
ATOM     16  O   LIG    1       -1.778  -0.918   3.587  0.00  0.00    -0.466 OA
ENDBRANCH   1  16
BRANCH   5  17
ATOM     17  N   LIG    1        1.106  -0.949   0.004  0.00  0.00    -0.328 N 
ATOM     18  H   LIG    1        1.617  -1.162   0.865  0.00  0.00    +0.147 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.691   0.242  -0.629  0.00  0.00    +0.111 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.111  -0.056  -1.182  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1        4.143  -0.172  -0.070  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1        4.981   0.908   0.271  0.00  0.00    -0.044 A 
ATOM     23  C   LIG    1        5.892   0.765   1.330  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        5.979  -0.430   2.042  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.168  -1.504   1.693  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.002   2.191  -0.524  0.00  0.00    +0.035 C 
ATOM     27  C   LIG    1        3.840   2.347  -1.500  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1        4.262  -1.379   0.641  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        3.532   1.025  -2.196  0.00  0.00    +0.010 C 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   5  17
TORSDOF 5