REMARK  Name = BDB044313
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.673   0.614   0.122  0.00  0.00    +0.269 C 
ATOM      2  N   LIG    1        0.146   1.690  -0.156  0.00  0.00    -0.278 N 
ATOM      3  H   LIG    1       -0.311   2.458  -0.640  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.349  -0.417   0.703  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -6.222  -0.635   1.288  0.00  0.00    +0.008 C 
ATOM      6  C   LIG    1       -5.853  -1.057  -0.138  0.00  0.00    -0.008 C 
ATOM      7  C   LIG    1       -5.596   0.177  -1.042  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -4.201   0.654  -0.868  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1       -3.162  -0.031  -0.283  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -2.046   0.842  -0.370  0.00  0.00    +0.151 A 
ATOM     11  N   LIG    1       -2.390   1.997  -0.992  0.00  0.00    -0.169 NA
ATOM     12  C   LIG    1       -3.315  -1.385   0.310  0.00  0.00    +0.039 C 
ATOM     13  N   LIG    1       -3.698   1.847  -1.278  0.00  0.00    -0.281 N 
ATOM     14  H   LIG    1       -4.179   2.603  -1.756  0.00  0.00    +0.189 HD
ATOM     15  C   LIG    1       -4.643  -2.031  -0.143  0.00  0.00    +0.008 C 
ENDBRANCH   1  10
BRANCH   2  16
ATOM     16  C   LIG    1        1.483   1.803   0.158  0.00  0.00    +0.072 A 
ATOM     17  C   LIG    1        2.296   0.896   0.791  0.00  0.00    +0.132 A 
ATOM     18  N   LIG    1        3.536   1.469   0.856  0.00  0.00    -0.265 N 
ATOM     19  N   LIG    1        3.577   2.713   0.328  0.00  0.00    -0.177 NA
ATOM     20  C   LIG    1        2.328   2.903  -0.108  0.00  0.00    +0.157 A 
BRANCH  18  21
ATOM     21  C   LIG    1        4.724   0.894   1.472  0.00  0.00    +0.178 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.401  -0.099   0.561  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1        6.128   0.342  -0.555  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        6.753  -0.574  -1.401  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.657  -1.940  -1.144  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.934  -2.391  -0.041  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.308  -1.477   0.808  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   2  16
TORSDOF 4