REMARK  Name = BDB045775
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.296  -0.168   0.267  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.556  -1.156   0.772  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -1.948  -1.029   0.668  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.509   0.090   0.059  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -1.659   1.079  -0.444  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -0.267   0.953  -0.339  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.705   0.425  -0.062  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        1.683  -0.372   0.420  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        1.948  -1.235   0.875  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.596   1.418  -0.771  0.00  0.00    -0.270 OA
BRANCH   7  15
ATOM     11  C   LIG    1        6.406  -0.280  -0.333  0.00  0.00    +0.162 A 
ATOM     12  C   LIG    1        6.663  -0.838   0.929  0.00  0.00    +0.158 A 
ATOM     13  C   LIG    1        5.650  -0.978   1.879  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        4.353  -0.567   1.570  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        4.076  -0.027   0.308  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1        5.104   0.129  -0.635  0.00  0.00    +0.062 A 
BRANCH  11  18
ATOM     17  C   LIG    1        7.264   0.459  -2.432  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        7.476  -0.184  -1.182  0.00  0.00    -0.491 OA
ENDBRANCH  11  18
BRANCH  12  19
ATOM     19  O   LIG    1        7.936  -1.243   1.231  0.00  0.00    -0.503 OA
ATOM     20  H   LIG    1        7.963  -1.570   2.143  0.00  0.00    +0.292 HD
ENDBRANCH  12  19
ENDBRANCH   7  15
ENDBRANCH   1   8
BRANCH   4  21
ATOM     21  N   LIG    1       -3.891   0.293  -0.086  0.00  0.00    -0.280 N 
ATOM     22  H   LIG    1       -4.199   1.146  -0.550  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1       -4.928  -0.524   0.324  0.00  0.00    +0.267 C 
ATOM     24  O   LIG    1       -4.840  -1.599   0.904  0.00  0.00    -0.268 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -6.277   0.041  -0.015  0.00  0.00    +0.126 A 
ATOM     26  N   LIG    1       -6.277   1.245  -0.659  0.00  0.00    -0.250 NA
ATOM     27  C   LIG    1       -7.488   1.758  -0.967  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1       -8.691   1.134  -0.668  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -8.658  -0.093  -0.012  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -7.431  -0.656   0.324  0.00  0.00    +0.033 A 
ENDBRANCH  23  25
ENDBRANCH   4  21
TORSDOF 6