REMARK  Name = BDB032499
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.201   1.364   1.777  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1       -0.910   2.248   2.753  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1        0.254   2.058   3.408  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1        1.134   1.021   3.139  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.801   0.104   2.138  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -0.396   0.289   1.440  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -2.379   1.490   1.069  0.00  0.00    -0.476 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -3.002   2.761   1.226  0.00  0.00    +0.234 C 
BRANCH   8  14
ATOM      9  C   LIG    1       -4.945  -2.261  -0.849  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1       -4.441  -0.981  -1.395  0.00  0.00    +0.035 A 
ATOM     11  N   LIG    1       -4.564   0.233  -0.767  0.00  0.00    -0.332 N 
ATOM     12  C   LIG    1       -5.163   0.500   0.523  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1       -5.406   1.990   0.765  0.00  0.00    +0.029 C 
ATOM     14  C   LIG    1       -4.236   2.885   0.312  0.00  0.00    +0.035 C 
ATOM     15  C   LIG    1       -3.907   2.626  -1.169  0.00  0.00    +0.081 C 
ATOM     16  C   LIG    1       -3.958   1.184  -1.551  0.00  0.00    +0.110 A 
ATOM     17  N   LIG    1       -3.488   0.647  -2.656  0.00  0.00    -0.240 NA
ATOM     18  C   LIG    1       -3.777  -0.691  -2.568  0.00  0.00    +0.133 A 
ENDBRANCH   8  14
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   5  19
ATOM     19  C   LIG    1        1.733  -1.025   1.775  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  N   LIG    1        2.485  -0.650   0.586  0.00  0.00    -0.339 N 
ATOM     21  H   LIG    1        2.744   0.333   0.612  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.561  -1.448   0.143  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        4.483  -0.934  -0.825  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        5.556  -1.744  -1.277  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        6.466  -1.191  -2.207  0.00  0.00    +0.124 A 
ATOM     26  N   LIG    1        6.384   0.061  -2.687  0.00  0.00    -0.240 NA
ATOM     27  C   LIG    1        5.345   0.805  -2.270  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1        5.675  -3.059  -0.786  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        4.742  -3.580   0.102  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        4.390   0.361  -1.369  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1        3.688  -2.787   0.544  0.00  0.00    +0.023 A 
BRANCH  25  32
ATOM     32  N   LIG    1        7.547  -1.924  -2.712  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1        8.015  -1.304  -3.371  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        7.216  -2.761  -3.176  0.00  0.00    +0.144 HD
ENDBRANCH  25  32
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7