REMARK  Name = BDB037001
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.028  -0.864  -0.931  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        0.650  -0.706  -0.821  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -0.224  -0.275   0.283  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -1.516  -0.343  -0.171  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -1.566  -0.717  -1.481  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -2.530  -0.813  -2.215  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1        0.135   0.060   1.397  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -0.192  -0.982  -1.893  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        0.266  -1.424  -3.121  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.638  -1.600  -3.258  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        2.501  -1.325  -2.179  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.650   0.143   0.601  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -3.009   1.558   0.138  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -2.223   2.315  -0.429  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -4.279   1.985   0.457  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -4.514   2.925   0.166  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -5.303   1.252   1.002  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -6.410   1.749   1.186  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -4.975  -0.164   1.419  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -3.881  -0.758   0.545  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  22
ATOM     21  C   LIG    1        2.986  -1.640   1.108  0.00  0.00    +0.129 C 
ATOM     22  N   LIG    1        2.994  -0.617   0.058  0.00  0.00    -0.331 N 
BRANCH  22  23
ATOM     23  C   LIG    1        3.006   0.778   0.553  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.464   1.257   0.724  0.00  0.00    +0.096 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.553   2.628   1.236  0.00  0.00    -0.328 NA
ATOM     26  H   LIG    1        5.534   2.870   1.369  0.00  0.00    +0.118 HD
ATOM     27  H   LIG    1        4.119   2.676   2.158  0.00  0.00    +0.118 HD
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 5