REMARK  Name = BDB032462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.151   0.083   0.824  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1       -1.649  -0.242  -0.385  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -0.819  -0.893  -1.228  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1        0.478  -1.256  -0.906  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.969  -0.935   0.363  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1        0.128  -0.250   1.244  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -1.945   0.722   1.750  0.00  0.00    -0.476 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -3.102   1.387   1.233  0.00  0.00    +0.234 C 
BRANCH   8  14
ATOM      9  C   LIG    1       -6.660  -0.970  -2.438  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1       -6.662   0.152  -1.474  0.00  0.00    +0.035 A 
ATOM     11  N   LIG    1       -5.961   0.164  -0.295  0.00  0.00    -0.332 N 
ATOM     12  C   LIG    1       -5.064  -0.858   0.207  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1       -4.642  -0.622   1.658  0.00  0.00    +0.029 C 
ATOM     14  C   LIG    1       -4.349   0.860   1.963  0.00  0.00    +0.035 C 
ATOM     15  C   LIG    1       -5.588   1.710   1.644  0.00  0.00    +0.081 C 
ATOM     16  C   LIG    1       -6.186   1.369   0.323  0.00  0.00    +0.110 A 
ATOM     17  N   LIG    1       -6.999   2.118  -0.391  0.00  0.00    -0.240 NA
ATOM     18  C   LIG    1       -7.299   1.375  -1.503  0.00  0.00    +0.133 A 
ENDBRANCH   8  14
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   5  19
ATOM     19  C   LIG    1        2.376  -1.306   0.759  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.312  -0.541  -0.053  0.00  0.00    -0.339 N 
ATOM     21  H   LIG    1        3.038   0.437  -0.104  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.702  -0.657   0.149  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        5.595   0.221  -0.548  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        6.997   0.105  -0.362  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        7.843   1.014  -1.048  0.00  0.00    +0.124 A 
ATOM     26  N   LIG    1        7.387   1.967  -1.878  0.00  0.00    -0.240 NA
ATOM     27  C   LIG    1        6.060   2.044  -2.063  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1        7.486  -0.913   0.485  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        6.624  -1.804   1.114  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        5.146   1.215  -1.438  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1        5.249  -1.683   0.935  0.00  0.00    +0.023 A 
BRANCH  25  32
ATOM     32  N   LIG    1        9.240   0.963  -0.907  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1        9.482   1.089   0.070  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        9.572   0.056  -1.215  0.00  0.00    +0.144 HD
ENDBRANCH  25  32
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7