REMARK  Name = BDB004580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.080  -2.217   0.962  0.00  0.00    -0.324 N 
ATOM      2  H   LIG    1        2.914  -2.578   1.417  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        4.782   0.385  -2.101  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1        3.750   0.324  -1.140  0.00  0.00    +0.088 A 
ATOM      5  C   LIG    1        3.435  -0.940  -0.604  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        2.411  -0.981   0.365  0.00  0.00    +0.130 A 
ATOM      7  N   LIG    1        1.746   0.119   0.749  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1        2.104   1.265   0.171  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        4.125  -2.096  -1.049  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        5.133  -2.015  -1.999  0.00  0.00    +0.002 A 
ATOM     11  N   LIG    1        3.075   1.422  -0.736  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1        5.463  -0.775  -2.521  0.00  0.00    +0.015 A 
BRANCH   3  16
ATOM     13  N   LIG    1        4.621   2.824  -2.379  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        4.886   3.681  -2.841  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        3.844   2.821  -1.725  0.00  0.00    +0.145 HD
ATOM     16  C   LIG    1        5.230   1.661  -2.745  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        6.125   1.677  -3.583  0.00  0.00    -0.270 OA
ENDBRANCH   3  16
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1        0.934  -2.233   1.863  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.356  -2.398   1.093  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -1.229  -1.313   0.918  0.00  0.00    +0.018 A 
ATOM     21  C   LIG    1       -2.416  -1.464   0.187  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1       -2.720  -2.700  -0.395  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -1.857  -3.783  -0.231  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -0.683  -3.633   0.509  0.00  0.00    +0.005 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -3.358  -0.327  -0.024  0.00  0.00    +0.248 C 
ATOM     26  N   LIG    1       -3.468   0.541   1.048  0.00  0.00    -0.282 N 
ATOM     27  H   LIG    1       -2.998   0.276   1.902  0.00  0.00    +0.155 HD
ATOM     28  O   LIG    1       -3.972  -0.270  -1.083  0.00  0.00    -0.270 OA
BRANCH  26  29
ATOM     29  C   LIG    1       -4.244   1.718   1.121  0.00  0.00    +0.034 A 
ATOM     30  C   LIG    1       -4.967   2.245   0.049  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -5.706   3.422   0.203  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -5.727   4.084   1.428  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.006   3.570   2.502  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1       -4.268   2.393   2.349  0.00  0.00    +0.023 A 
ENDBRANCH  26  29
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6