REMARK  Name = BDB002741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.083  -1.270  -1.004  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        1.424  -1.213  -0.929  0.00  0.00    -0.285 NA
ATOM      3  C   LIG    1        1.968  -2.483  -0.397  0.00  0.00    +0.104 C 
ATOM      4  C   LIG    1        1.594  -3.639  -1.315  0.00  0.00    +0.119 C 
ATOM      5  N   LIG    1        0.169  -3.738  -1.470  0.00  0.00    -0.313 N 
ATOM      6  H   LIG    1       -0.225  -4.545  -1.940  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -0.609  -2.617  -1.591  0.00  0.00    +0.231 C 
ATOM      8  O   LIG    1       -1.740  -2.761  -2.050  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -0.625  -0.120  -1.878  0.00  0.00    +0.124 C 
BRANCH   9  12
ATOM     10  C   LIG    1       -3.955   1.051  -0.216  0.00  0.00    +0.044 C 
ATOM     11  N   LIG    1       -2.517   0.775  -0.517  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1       -2.108   0.161  -1.687  0.00  0.00    +0.218 C 
ATOM     13  O   LIG    1       -2.903  -0.121  -2.584  0.00  0.00    -0.276 OA
ATOM     14  C   LIG    1       -1.651   1.372   0.488  0.00  0.00    +0.108 C 
ATOM     15  C   LIG    1       -2.527   1.515   1.715  0.00  0.00    +0.021 C 
ATOM     16  C   LIG    1       -3.885   1.849   1.120  0.00  0.00    +0.028 C 
BRANCH  10  17
ATOM     17  C   LIG    1       -4.611   1.953  -1.315  0.00  0.00    +0.052 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -6.274   3.783  -0.828  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -5.986   2.485  -0.987  0.00  0.00    -0.032 C 
ENDBRANCH  17  19
ENDBRANCH  10  17
BRANCH  10  20
ATOM     20  C   LIG    1       -4.773  -0.270  -0.053  0.00  0.00    +0.052 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.189  -1.301   0.881  0.00  0.00    -0.032 C 
ATOM     22  C   LIG    1       -4.747  -1.678   2.039  0.00  0.00    +0.004 C 
ENDBRANCH  20  21
ENDBRANCH  10  20
ENDBRANCH   9  12
ENDBRANCH   1   9
BRANCH   2  23
ATOM     23  C   LIG    1        1.880  -0.102  -0.058  0.00  0.00    +0.124 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.365   0.185  -0.179  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        4.213   0.206   0.945  0.00  0.00    +0.166 A 
ATOM     26  C   LIG    1        5.576   0.541   0.815  0.00  0.00    +0.162 A 
ATOM     27  C   LIG    1        6.092   0.800  -0.459  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.264   0.758  -1.582  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        3.910   0.464  -1.442  0.00  0.00    +0.009 A 
BRANCH  25  30
ATOM     30  O   LIG    1        3.627  -0.045   2.165  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1        4.242  -1.125   2.866  0.00  0.00    +0.277 C 
ENDBRANCH  25  30
BRANCH  26  32
ATOM     32  O   LIG    1        6.314   0.601   1.969  0.00  0.00    -0.491 OA
ATOM     33  C   LIG    1        7.636   1.116   1.879  0.00  0.00    +0.277 C 
ENDBRANCH  26  32
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 10