REMARK  Name = BDB032222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.734   2.116  -0.135  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1        0.941   1.869   0.981  0.00  0.00    +0.119 A 
ATOM      3  N   LIG    1       -0.342   1.443   0.931  0.00  0.00    -0.221 NA
ATOM      4  C   LIG    1       -0.866   1.246  -0.296  0.00  0.00    +0.215 A 
ATOM      5  C   LIG    1       -0.170   1.468  -1.472  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1        1.147   1.915  -1.389  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        3.147   2.613   0.019  0.00  0.00    +0.138 C 
BRANCH   7   8
ATOM      8  N   LIG    1        4.120   1.752  -0.646  0.00  0.00    -0.339 N 
ATOM      9  H   LIG    1        3.956   1.713  -1.646  0.00  0.00    +0.146 HD
BRANCH   8  13
ATOM     10  C   LIG    1        6.401  -2.525  -1.295  0.00  0.00    +0.124 A 
ATOM     11  C   LIG    1        5.661  -1.664  -0.452  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1        5.283  -0.393  -0.954  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        4.492   0.490  -0.145  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        4.213   0.109   1.177  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        4.601  -1.132   1.675  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        5.732  -0.062  -2.248  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        6.477  -0.974  -2.977  0.00  0.00    +0.113 A 
ATOM     18  C   LIG    1        5.305  -2.014   0.865  0.00  0.00    +0.012 A 
ATOM     19  N   LIG    1        6.808  -2.197  -2.533  0.00  0.00    -0.240 NA
BRANCH  10  20
ATOM     20  N   LIG    1        6.782  -3.810  -0.889  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        5.968  -4.355  -0.630  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        7.265  -4.221  -1.685  0.00  0.00    +0.144 HD
ENDBRANCH  10  20
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  23
ATOM     23  O   LIG    1       -2.169   0.809  -0.430  0.00  0.00    -0.476 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -2.817   0.578   0.824  0.00  0.00    +0.234 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.249   0.100   0.551  0.00  0.00    +0.035 C 
ATOM     26  C   LIG    1       -4.942  -0.279   1.870  0.00  0.00    +0.081 C 
ATOM     27  C   LIG    1       -6.403  -0.507   1.688  0.00  0.00    +0.110 A 
ATOM     28  N   LIG    1       -7.085  -0.034   0.596  0.00  0.00    -0.334 N 
ATOM     29  C   LIG    1       -8.398  -0.368   0.734  0.00  0.00    +0.107 A 
ATOM     30  C   LIG    1       -8.462  -1.043   1.932  0.00  0.00    +0.130 A 
ATOM     31  C   LIG    1       -6.472   0.646  -0.525  0.00  0.00    +0.123 C 
ATOM     32  N   LIG    1       -7.223  -1.123   2.515  0.00  0.00    -0.241 NA
ATOM     33  C   LIG    1       -5.073   1.169  -0.196  0.00  0.00    +0.029 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7