REMARK  Name = BDB060768
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.321   0.016   0.762  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -1.571  -0.072   1.735  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        2.877   0.028  -0.045  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1        2.353  -0.067   1.249  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.970  -0.071   1.494  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.041   0.024   0.452  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        0.551   0.125  -0.839  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        1.936   0.127  -1.079  0.00  0.00    +0.025 A 
BRANCH   3  14
ATOM      9  C   LIG    1        9.346   0.969  -0.577  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1        8.447  -0.046  -1.235  0.00  0.00    +0.213 C 
ATOM     11  N   LIG    1        7.121  -0.058  -0.840  0.00  0.00    -0.299 N 
ATOM     12  C   LIG    1        6.554   0.807   0.199  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1        5.221   0.287   0.770  0.00  0.00    +0.124 C 
ATOM     14  N   LIG    1        4.240   0.036  -0.296  0.00  0.00    -0.327 N 
ATOM     15  C   LIG    1        4.762  -0.411  -1.603  0.00  0.00    +0.124 C 
ATOM     16  C   LIG    1        6.188  -0.980  -1.492  0.00  0.00    +0.126 C 
ATOM     17  O   LIG    1        8.897  -0.823  -2.076  0.00  0.00    -0.276 OA
ENDBRANCH   3  14
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1       -2.489   0.090   0.008  0.00  0.00    +0.220 A 
ATOM     19  N   LIG    1       -3.622   0.035   0.724  0.00  0.00    -0.214 NA
ATOM     20  C   LIG    1       -4.799   0.102   0.059  0.00  0.00    +0.080 A 
ATOM     21  C   LIG    1       -4.861   0.222  -1.310  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -3.654   0.270  -1.957  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1       -2.469   0.207  -1.326  0.00  0.00    -0.223 NA
BRANCH  20  24
ATOM     24  C   LIG    1       -6.004   0.037   0.884  0.00  0.00    +0.044 A 
ATOM     25  C   LIG    1       -7.387   0.084   0.527  0.00  0.00    +0.098 A 
ATOM     26  C   LIG    1       -8.138  -0.017   1.699  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1       -9.533  -0.002   1.681  0.00  0.00    +0.029 A 
ATOM     28  C   LIG    1      -10.123   0.119   0.428  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1       -9.315   0.215  -0.695  0.00  0.00    +0.111 A 
ATOM     30  N   LIG    1       -7.249  -0.122   2.740  0.00  0.00    -0.359 N 
ATOM     31  H   LIG    1       -7.507  -0.209   3.713  0.00  0.00    +0.165 HD
ATOM     32  N   LIG    1       -7.966   0.203  -0.697  0.00  0.00    -0.253 NA
ATOM     33  C   LIG    1       -5.966  -0.090   2.264  0.00  0.00    +0.095 A 
ENDBRANCH  20  24
ENDBRANCH   1  18
TORSDOF 4