REMARK  Name = BDB024509
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.208  -1.096  -0.294  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.327  -0.056   0.047  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.941   1.192   0.550  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.664   1.955  -0.572  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.966   2.165   1.232  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.930   1.410   2.036  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.181   0.528   1.080  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.780   0.377   1.142  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.111   0.961   2.004  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.305   0.540   1.643  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1       -1.211  -0.362   0.598  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.121  -0.452   0.242  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.807  -1.145  -0.759  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.200  -0.997  -0.809  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.900  -0.194   0.102  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.429  -0.964  -0.342  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.319  -1.095  -0.005  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -2.183  -2.618   0.129  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1       -3.452  -3.346  -0.331  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -4.151  -2.694  -1.540  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1       -3.211  -1.773  -2.319  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -2.607  -0.660  -1.455  0.00  0.00    +0.026 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -5.401  -1.928  -1.123  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -5.573  -1.426  -0.022  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -6.315  -1.821  -2.112  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -6.056  -2.241  -2.954  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        5.505  -3.374  -0.792  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        4.606  -2.303  -0.504  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.570   0.993   2.305  0.00  0.00    +0.097 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.463   1.876   1.438  0.00  0.00    +0.151 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -2.776   2.978   0.796  0.00  0.00    -0.271 N 
ATOM     32  N   LIG    1       -2.645   2.990  -0.547  0.00  0.00    -0.180 NA
ATOM     33  C   LIG    1       -1.981   4.124  -0.786  0.00  0.00    +0.134 A 
ATOM     34  C   LIG    1       -1.721   4.852   0.389  0.00  0.00    +0.041 A 
ATOM     35  C   LIG    1       -2.263   4.091   1.398  0.00  0.00    +0.108 A 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 7