REMARK  Name = BDB000224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.226  -0.440  -0.584  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1        1.066   0.342  -0.496  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -0.199  -0.247  -0.441  0.00  0.00    +0.139 A 
ATOM      4  C   LIG    1       -0.256  -1.633  -0.472  0.00  0.00    +0.156 A 
ATOM      5  N   LIG    1        0.831  -2.437  -0.553  0.00  0.00    -0.259 NA
ATOM      6  C   LIG    1        2.037  -1.821  -0.610  0.00  0.00    +0.119 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1        7.394  -0.715   2.002  0.00  0.00    +0.068 C 
ATOM      8  C   LIG    1        7.089   0.199   0.875  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1        5.858   0.338   0.177  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        6.099   1.319  -0.776  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1        5.128   1.758  -1.677  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        3.863   1.161  -1.589  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        3.566   0.163  -0.644  0.00  0.00    -0.016 A 
ATOM     14  N   LIG    1        7.405   1.683  -0.594  0.00  0.00    -0.277 N 
ATOM     15  H   LIG    1        7.931   2.377  -1.113  0.00  0.00    +0.189 HD
ATOM     16  C   LIG    1        4.579  -0.248   0.247  0.00  0.00    +0.020 A 
ATOM     17  N   LIG    1        8.030   1.024   0.397  0.00  0.00    -0.178 NA
ENDBRANCH   1  13
BRANCH   3  18
ATOM     18  O   LIG    1       -1.241   0.626  -0.349  0.00  0.00    -0.489 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -2.579   0.106  -0.348  0.00  0.00    +0.247 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.032  -0.245   1.087  0.00  0.00    +0.093 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.087   0.965   1.933  0.00  0.00    -0.324 NA
ATOM     22  H   LIG    1       -2.206   1.472   1.826  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1       -3.147   0.693   2.914  0.00  0.00    +0.119 HD
ENDBRANCH  20  21
BRANCH  20  24
ATOM     24  C   LIG    1       -4.360  -1.036   1.114  0.00  0.00    +0.057 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.497  -0.470   0.293  0.00  0.00    -0.046 A 
ATOM     26  C   LIG    1       -6.126   0.725   0.663  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -7.173   1.243  -0.100  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.607   0.569  -1.239  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.995  -0.624  -1.615  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.946  -1.143  -0.853  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 7