REMARK  Name = BDB014647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.394   0.698   0.135  0.00  0.00    +0.214 C 
ATOM      2  N   LIG    1        0.601   0.217  -0.881  0.00  0.00    -0.313 N 
ATOM      3  H   LIG    1        0.770  -0.706  -1.260  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.211   1.787   0.667  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.491  -0.257   0.543  0.00  0.00    +0.103 C 
BRANCH   5   6
ATOM      6  C   LIG    1        3.486   0.430   1.473  0.00  0.00    +0.083 C 
BRANCH   6  12
ATOM      7  C   LIG    1        6.903  -3.185   1.718  0.00  0.00    +0.147 A 
ATOM      8  C   LIG    1        6.094  -2.041   1.913  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1        6.445  -1.140   2.915  0.00  0.00    +0.070 A 
ATOM     10  N   LIG    1        5.497  -0.153   2.844  0.00  0.00    -0.342 N 
ATOM     11  H   LIG    1        5.454   0.668   3.431  0.00  0.00    +0.167 HD
ATOM     12  C   LIG    1        4.623  -0.465   1.834  0.00  0.00    +0.109 A 
ATOM     13  C   LIG    1        7.553  -1.304   3.753  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        8.344  -2.436   3.544  0.00  0.00    +0.006 A 
ATOM     15  N   LIG    1        4.958  -1.602   1.262  0.00  0.00    -0.229 NA
ATOM     16  C   LIG    1        8.028  -3.358   2.544  0.00  0.00    +0.048 A 
BRANCH   7  18
ATOM     17  C   LIG    1        5.543  -4.096  -0.004  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        6.730  -4.191   0.773  0.00  0.00    -0.493 OA
ENDBRANCH   7  18
ENDBRANCH   6  12
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1       -0.523   0.978  -1.401  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.769   0.851  -0.509  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.127  -0.538  -0.454  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -1.504  -0.939   0.177  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.930   1.695  -1.082  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.034   1.863  -0.112  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -5.004   0.750  -0.157  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.988   0.801  -1.310  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -6.259   2.008  -1.980  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.204   2.035  -3.012  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -7.894   0.878  -3.366  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.639  -0.316  -2.699  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.492   3.256  -1.630  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -6.693  -0.354  -1.674  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -4.754   3.133  -0.291  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 9