REMARK  Name = BDB012201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.664   0.379   0.986  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.586   0.423  -0.235  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.557   0.107  -0.944  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1       -0.600   0.384  -1.917  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.812  -0.212  -0.268  0.00  0.00    +0.073 C 
ATOM      6  C   LIG    1       -2.626  -1.193  -1.127  0.00  0.00    +0.026 C 
ATOM      7  C   LIG    1       -4.118  -1.070  -0.856  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -4.653   0.326  -1.224  0.00  0.00    +0.175 C 
ATOM      9  C   LIG    1       -3.593   1.428  -1.027  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1       -2.593   1.070   0.070  0.00  0.00    +0.026 C 
BRANCH   8  11
ATOM     11  O   LIG    1       -5.761   0.650  -0.370  0.00  0.00    -0.473 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -6.982   0.145  -0.770  0.00  0.00    +0.215 A 
ATOM     13  N   LIG    1       -7.074  -0.611  -1.883  0.00  0.00    -0.221 NA
ATOM     14  C   LIG    1       -8.306  -1.062  -2.208  0.00  0.00    +0.114 A 
ATOM     15  C   LIG    1       -9.448  -0.791  -1.470  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -9.322  -0.010  -0.328  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1       -8.066   0.469   0.032  0.00  0.00    +0.067 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1        1.733   0.845  -1.136  0.00  0.00    +0.096 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.075   0.952  -0.410  0.00  0.00    +0.017 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.672  -0.421  -0.095  0.00  0.00    +0.075 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.036  -0.301   0.546  0.00  0.00    +0.110 A 
ATOM     22  N   LIG    1        6.043   0.151  -0.265  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1        5.869   0.386  -1.231  0.00  0.00    +0.170 HD
ATOM     24  C   LIG    1        7.335   0.322   0.163  0.00  0.00    +0.259 A 
ATOM     25  O   LIG    1        8.216   0.737  -0.581  0.00  0.00    -0.267 OA
ATOM     26  C   LIG    1        7.589  -0.023   1.571  0.00  0.00    +0.065 A 
ATOM     27  C   LIG    1        6.506  -0.482   2.324  0.00  0.00    +0.078 A 
ATOM     28  C   LIG    1        6.721  -0.824   3.660  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1        7.995  -0.713   4.227  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        9.067  -0.253   3.461  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        8.867   0.097   2.127  0.00  0.00    +0.015 A 
ATOM     32  N   LIG    1        5.214  -0.616   1.787  0.00  0.00    -0.234 NA
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 7