REMARK  Name = BDB003735
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.334  -2.422   0.774  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   8
ATOM      2  N   LIG    1       -1.059   0.958   1.275  0.00  0.00    -0.345 N 
ATOM      3  C   LIG    1       -1.782   0.622   0.152  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -1.409  -0.681  -0.198  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.010  -1.271  -1.331  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -2.958  -0.555  -2.070  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.313   0.736  -1.700  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.417  -1.114   0.744  0.00  0.00    -0.008 A 
ATOM      9  C   LIG    1       -2.733   1.348  -0.585  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -0.231  -0.071   1.631  0.00  0.00    +0.091 A 
BRANCH   2  11
ATOM     11  C   LIG    1       -1.149   2.217   1.997  0.00  0.00    +0.136 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -2.280   2.197   3.017  0.00  0.00    +0.140 C 
BRANCH  12  14
ATOM     13  N   LIG    1       -2.398   4.507   4.257  0.00  0.00    -0.197 NA
ATOM     14  C   LIG    1       -2.352   3.483   3.715  0.00  0.00    +0.064 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   2  11
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -0.605  -3.612   0.718  0.00  0.00    +0.313 C 
ATOM     16  O   LIG    1       -0.807  -4.341  -0.241  0.00  0.00    -0.250 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -1.258  -3.828   1.880  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1       -1.837  -4.596   1.694  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   1  19
ATOM     19  C   LIG    1        1.376  -2.518  -0.346  0.00  0.00    +0.099 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.590  -1.683   0.001  0.00  0.00    +0.164 C 
ATOM     21  O   LIG    1        3.354  -2.051   0.896  0.00  0.00    -0.292 OA
BRANCH  20  22
ATOM     22  C   LIG    1        2.877  -0.403  -0.720  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1        1.980   0.198  -1.611  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        2.306   1.407  -2.237  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1        3.529   2.019  -1.975  0.00  0.00    +0.018 A 
ATOM     26 BR   LIG    1        3.962   3.653  -2.820  0.00  0.00    -0.050 Br
ATOM     27  C   LIG    1        4.432   1.436  -1.091  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        4.105   0.230  -0.465  0.00  0.00    +0.012 A 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 9