REMARK  Name = BDB049783
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.163   0.140  -0.569  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1        0.184   0.298   0.427  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1        3.690   0.537  -0.515  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1        2.402   0.468  -0.131  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1        1.464   0.214  -1.060  0.00  0.00    +0.221 A 
ATOM      6  N   LIG    1        1.748   0.041  -2.355  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        3.034   0.145  -2.720  0.00  0.00    +0.118 A 
ATOM      8  C   LIG    1        4.053   0.392  -1.835  0.00  0.00    +0.063 A 
BRANCH   3   9
ATOM      9  N   LIG    1        4.602   0.799   0.513  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        4.084   1.044   1.354  0.00  0.00    +0.155 HD
BRANCH   9  16
ATOM     11  C   LIG    1        9.421   0.722   1.739  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1        8.090   0.505   1.125  0.00  0.00    +0.062 A 
ATOM     13  N   LIG    1        7.950  -0.340   0.097  0.00  0.00    -0.178 NA
ATOM     14  N   LIG    1        6.635  -0.298  -0.175  0.00  0.00    -0.264 N 
ATOM     15  H   LIG    1        6.276  -0.928  -0.881  0.00  0.00    +0.190 HD
ATOM     16  C   LIG    1        5.934   0.588   0.598  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1        6.855   1.092   1.488  0.00  0.00    +0.068 A 
ENDBRANCH   9  16
ENDBRANCH   3   9
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  C   LIG    1       -1.088  -0.091  -1.153  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1       -2.225  -0.102  -0.318  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1       -3.523  -0.327  -0.814  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1       -3.665  -0.546  -2.192  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -2.556  -0.540  -3.037  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -1.281  -0.315  -2.517  0.00  0.00    +0.023 A 
BRANCH  20  24
ATOM     24  C   LIG    1       -4.736  -0.345   0.035  0.00  0.00    +0.109 A 
ATOM     25  S   LIG    1       -4.665  -0.120   1.742  0.00  0.00    -0.067 S 
ATOM     26  C   LIG    1       -6.371  -0.284   1.856  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1       -6.889  -0.501   0.580  0.00  0.00    +0.079 A 
ATOM     28  C   LIG    1       -8.281  -0.666   0.431  0.00  0.00    +0.029 A 
ATOM     29  C   LIG    1       -9.112  -0.610   1.554  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -8.574  -0.392   2.819  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -7.196  -0.226   2.992  0.00  0.00    +0.017 A 
ATOM     32  N   LIG    1       -5.953  -0.533  -0.439  0.00  0.00    -0.239 NA
ENDBRANCH  20  24
ENDBRANCH   1  18
TORSDOF 5