REMARK  Name = BDB032201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.982   0.229   1.022  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1        0.227  -0.605   0.201  0.00  0.00    +0.119 A 
ATOM      3  N   LIG    1       -1.103  -0.471  -0.004  0.00  0.00    -0.221 NA
ATOM      4  C   LIG    1       -1.712   0.553   0.628  0.00  0.00    +0.215 A 
ATOM      5  C   LIG    1       -1.053   1.446   1.458  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1        0.316   1.282   1.654  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.460   0.008   1.188  0.00  0.00    +0.138 C 
BRANCH   7   8
ATOM      8  N   LIG    1        3.151   0.443  -0.017  0.00  0.00    -0.340 N 
ATOM      9  H   LIG    1        2.757   1.297  -0.408  0.00  0.00    +0.146 HD
BRANCH   8  14
ATOM     10  C   LIG    1        8.804   0.345  -0.434  0.00  0.00    +0.124 A 
ATOM     11  C   LIG    1        7.390   0.403  -0.358  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        6.760  -0.357   0.648  0.00  0.00    -0.011 A 
ATOM     13  C   LIG    1        5.355  -0.338   0.772  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1        4.547   0.445  -0.060  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        5.178   1.163  -1.081  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        7.547  -1.128   1.508  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        8.919  -1.112   1.347  0.00  0.00    +0.113 A 
ATOM     18  C   LIG    1        6.570   1.157  -1.224  0.00  0.00    +0.014 A 
ATOM     19  N   LIG    1        9.555  -0.395   0.402  0.00  0.00    -0.240 NA
BRANCH  10  20
ATOM     20  N   LIG    1        9.512   1.068  -1.408  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        9.307   2.056  -1.306  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        9.211   0.765  -2.329  0.00  0.00    +0.144 HD
ENDBRANCH  10  20
ENDBRANCH   8  14
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  23
ATOM     23  O   LIG    1       -3.069   0.756   0.468  0.00  0.00    -0.476 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.674  -0.179  -0.430  0.00  0.00    +0.234 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.171   0.143  -0.530  0.00  0.00    +0.035 C 
ATOM     26  C   LIG    1       -5.835  -0.750  -1.590  0.00  0.00    +0.081 C 
ATOM     27  C   LIG    1       -7.322  -0.650  -1.550  0.00  0.00    +0.110 A 
ATOM     28  N   LIG    1       -7.991  -0.166  -0.456  0.00  0.00    -0.334 N 
ATOM     29  C   LIG    1       -9.329  -0.233  -0.708  0.00  0.00    +0.107 A 
ATOM     30  C   LIG    1       -9.418  -0.770  -1.972  0.00  0.00    +0.130 A 
ATOM     31  C   LIG    1       -7.354   0.375   0.726  0.00  0.00    +0.123 C 
ATOM     32  N   LIG    1       -8.171  -1.025  -2.484  0.00  0.00    -0.241 NA
ATOM     33  C   LIG    1       -5.881  -0.024   0.829  0.00  0.00    +0.029 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7