REMARK  Name = BDB003506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.300  -3.228   0.280  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1        0.629  -2.386  -0.603  0.00  0.00    +0.247 C 
ATOM      3  O   LIG    1        1.201  -1.837  -1.545  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.865  -3.497   1.646  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.814  -2.127  -0.405  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -1.257  -0.797  -0.392  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -2.630  -0.539  -0.222  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -3.508  -1.620  -0.088  0.00  0.00    +0.047 A 
ATOM      9  N   LIG    1       -4.777  -1.101   0.063  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1       -5.615  -1.656   0.172  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -4.726   0.263   0.034  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -5.902   1.166   0.141  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -5.426   2.609   0.394  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1       -4.200   3.022  -0.461  0.00  0.00    -0.009 C 
ATOM     15  C   LIG    1       -4.554   3.096  -1.950  0.00  0.00    +0.008 C 
ATOM     16  C   LIG    1       -2.994   2.079  -0.214  0.00  0.00    +0.040 C 
ATOM     17  C   LIG    1       -3.081  -2.953  -0.125  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1       -3.413   0.646  -0.147  0.00  0.00    -0.019 A 
ATOM     19  C   LIG    1       -1.714  -3.191  -0.293  0.00  0.00    +0.015 A 
ENDBRANCH   2   5
BRANCH   1  20
ATOM     20  C   LIG    1        2.676  -3.610  -0.046  0.00  0.00    +0.203 C 
BRANCH  20  23
ATOM     21  N   LIG    1        3.610  -1.375  -0.232  0.00  0.00    -0.284 N 
ATOM     22  H   LIG    1        2.858  -1.319  -0.923  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1        3.706  -2.580   0.441  0.00  0.00    +0.235 C 
ATOM     24  O   LIG    1        4.508  -2.869   1.326  0.00  0.00    -0.274 OA
BRANCH  21  29
ATOM     25  C   LIG    1        6.591   3.480   0.315  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        5.838   2.192   0.166  0.00  0.00    -0.050 A 
ATOM     27  C   LIG    1        4.774   2.088  -0.735  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        4.057   0.893  -0.847  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        4.382  -0.214  -0.054  0.00  0.00    +0.033 A 
ATOM     30  C   LIG    1        5.434  -0.106   0.854  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1        6.153   1.090   0.967  0.00  0.00    +0.005 A 
ENDBRANCH  21  29
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 4