REMARK  Name = BDB022994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.630   0.078   1.243  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -0.471  -0.509   0.748  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -0.384  -1.508  -0.316  0.00  0.00    +0.119 C 
ATOM      4  C   LIG    1        0.732  -1.167  -1.338  0.00  0.00    +0.009 C 
ATOM      5  C   LIG    1        0.320   0.067  -2.165  0.00  0.00    +0.017 C 
ATOM      6  C   LIG    1        0.872  -2.377  -2.286  0.00  0.00    +0.017 C 
ATOM      7  C   LIG    1        2.024  -0.861  -0.605  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        2.036  -0.463   0.723  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1        3.183  -0.193   1.392  0.00  0.00    -0.218 NA
ATOM     10  C   LIG    1        4.340  -0.299   0.733  0.00  0.00    +0.216 A 
ATOM     11  N   LIG    1        4.424  -0.640  -0.555  0.00  0.00    -0.223 NA
ATOM     12  C   LIG    1        3.271  -0.911  -1.194  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        0.759  -0.312   1.519  0.00  0.00    +0.163 C 
ATOM     14  O   LIG    1       -1.595   0.792   2.247  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  19
ATOM     15  C   LIG    1       -6.423  -0.949   1.797  0.00  0.00    +0.104 C 
ATOM     16  N   LIG    1       -5.184  -0.601   2.480  0.00  0.00    -0.305 NA
ATOM     17  C   LIG    1       -4.703   0.751   2.167  0.00  0.00    +0.093 C 
ATOM     18  C   LIG    1       -3.985   0.943   0.802  0.00  0.00    +0.045 C 
ATOM     19  C   LIG    1       -2.959  -0.193   0.520  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -3.489  -1.581   0.921  0.00  0.00    +0.029 C 
ATOM     21  C   LIG    1       -4.128  -1.594   2.309  0.00  0.00    +0.085 C 
BRANCH  18  22
ATOM     22  C   LIG    1       -4.968   1.264  -0.331  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -5.640   2.502  -0.297  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -6.543   2.866  -1.298  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.791   2.002  -2.359  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.133   0.777  -2.417  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.227   0.413  -1.415  0.00  0.00    +0.004 A 
ENDBRANCH  18  22
ENDBRANCH   1  19
BRANCH  10  28
ATOM     28  N   LIG    1        5.465  -0.014   1.477  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1        5.143   0.479   2.302  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        6.677   0.519   0.864  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1        7.448  -0.526   0.062  0.00  0.00    +0.050 C 
ATOM     32  C   LIG    1        8.769   0.058  -0.433  0.00  0.00    +0.161 C 
ATOM     33  O   LIG    1        8.740   1.477  -0.604  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        7.473   1.952  -1.050  0.00  0.00    +0.161 C 
ATOM     35  C   LIG    1        6.445   1.807   0.065  0.00  0.00    +0.050 C 
ENDBRANCH  28  30
ENDBRANCH  10  28
TORSDOF 4