REMARK  Name = BDB004571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.990  -1.137   0.468  0.00  0.00    -0.324 N 
ATOM      2  H   LIG    1        0.871  -0.391  -0.213  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.190  -0.937   1.180  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1        3.400  -0.781   0.470  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        4.561  -0.569   1.240  0.00  0.00    +0.088 A 
ATOM      6  C   LIG    1        5.778  -0.394   0.547  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        5.835  -0.441  -0.859  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        4.690  -0.668  -1.605  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        4.488  -0.543   2.590  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        3.292  -0.734   3.159  0.00  0.00    +0.223 A 
ATOM     11  C   LIG    1        3.482  -0.838  -0.944  0.00  0.00    +0.013 A 
ATOM     12  N   LIG    1        2.141  -0.929   2.520  0.00  0.00    -0.220 NA
BRANCH   6  13
ATOM     13  C   LIG    1        7.085  -0.151   1.236  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1        8.127  -0.004   0.604  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1        7.104  -0.092   2.597  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        6.256  -0.235   3.136  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        7.985   0.050   3.070  0.00  0.00    +0.145 HD
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -0.204  -1.291   1.288  0.00  0.00    +0.138 C 
BRANCH  18  21
ATOM     19  C   LIG    1       -3.443  -0.475  -0.591  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1       -2.336  -0.371   0.263  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -1.405  -1.417   0.377  0.00  0.00    -0.029 A 
ATOM     22  C   LIG    1       -1.591  -2.576  -0.387  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -2.689  -2.687  -1.237  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.611  -1.641  -1.337  0.00  0.00    +0.023 A 
BRANCH  19  28
ATOM     25  N   LIG    1       -6.134   1.939  -1.232  0.00  0.00    -0.299 N 
ATOM     26  H   LIG    1       -6.932   1.994  -1.854  0.00  0.00    +0.150 HD
ATOM     27  C   LIG    1       -5.447   0.773  -1.404  0.00  0.00    +0.304 C 
ATOM     28  N   LIG    1       -4.327   0.624  -0.634  0.00  0.00    -0.269 N 
ATOM     29  H   LIG    1       -4.091   1.401  -0.042  0.00  0.00    +0.156 HD
ATOM     30  O   LIG    1       -5.887  -0.027  -2.223  0.00  0.00    -0.253 OA
BRANCH  25  32
ATOM     31  C   LIG    1       -4.827   4.007  -0.992  0.00  0.00    +0.024 C 
ATOM     32  C   LIG    1       -5.863   3.081  -0.381  0.00  0.00    +0.102 C 
ENDBRANCH  25  32
ENDBRANCH  19  28
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 6