REMARK  Name = BDB003189
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.621   0.189  -1.430  0.00  0.00    +0.071 C 
ATOM      2  C   LIG    1       -0.413   0.928  -2.319  0.00  0.00    +0.037 C 
ATOM      3  C   LIG    1       -1.819   0.349  -2.137  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1       -1.795  -1.099  -1.946  0.00  0.00    -0.295 N 
ATOM      5  C   LIG    1       -2.832  -1.833  -1.383  0.00  0.00    +0.285 C 
ATOM      6  O   LIG    1       -2.820  -3.058  -1.275  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -0.646  -1.802  -2.492  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        0.669  -1.299  -1.885  0.00  0.00    +0.037 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.006  -1.054  -0.872  0.00  0.00    +0.220 C 
ATOM     10  O   LIG    1       -4.742  -0.341  -1.811  0.00  0.00    -0.481 OA
ATOM     11  C   LIG    1       -5.668   0.562  -1.200  0.00  0.00    +0.270 C 
ATOM     12  C   LIG    1       -6.366  -0.097  -0.024  0.00  0.00    +0.269 C 
ATOM     13  O   LIG    1       -5.406  -0.436   0.984  0.00  0.00    -0.489 OA
ATOM     14  C   LIG    1       -4.293  -1.079   0.450  0.00  0.00    +0.141 C 
ATOM     15  C   LIG    1       -3.473  -1.769   1.502  0.00  0.00    +0.089 C 
ENDBRANCH   5   9
BRANCH   1  16
ATOM     16  C   LIG    1        0.191   0.276   0.045  0.00  0.00    +0.313 C 
ATOM     17  O   LIG    1        0.240  -0.645   0.849  0.00  0.00    -0.250 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -0.209   1.542   0.360  0.00  0.00    -0.465 OA
BRANCH  18  20
ATOM     19  C   LIG    1       -1.100   3.136   1.898  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1       -0.633   1.705   1.719  0.00  0.00    +0.229 C 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   1  21
ATOM     21  C   LIG    1        2.009   0.867  -1.596  0.00  0.00    +0.018 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.174   0.229  -0.821  0.00  0.00    +0.006 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.417   0.877   0.546  0.00  0.00    +0.035 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.521   0.178   1.300  0.00  0.00    -0.047 A 
ATOM     25  C   LIG    1        5.845   0.624   1.206  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        6.863  -0.040   1.893  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.566  -1.155   2.676  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.253  -1.609   2.770  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.234  -0.948   2.084  0.00  0.00    +0.003 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 8