REMARK  Name = BDB048775
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.156   0.380  -1.056  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.644   0.700  -2.315  0.00  0.00    +0.098 C 
BRANCH   2   9
ATOM      3  C   LIG    1        2.144   3.642  -2.125  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1        2.677   2.271  -1.931  0.00  0.00    +0.039 A 
ATOM      5  N   LIG    1        3.994   1.985  -1.639  0.00  0.00    -0.331 N 
ATOM      6  C   LIG    1        5.072   2.945  -1.581  0.00  0.00    +0.150 C 
ATOM      7  C   LIG    1        4.111   0.619  -1.468  0.00  0.00    +0.141 A 
ATOM      8  N   LIG    1        2.955   0.036  -1.731  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1        2.059   1.037  -2.006  0.00  0.00    +0.066 A 
BRANCH   7  10
ATOM     10  C   LIG    1        5.333  -0.098  -1.097  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        5.736  -1.207  -1.853  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        6.896  -1.911  -1.522  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        7.658  -1.519  -0.423  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        7.256  -0.431   0.350  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        6.096   0.274   0.018  0.00  0.00    +0.011 A 
ENDBRANCH   7  10
ENDBRANCH   2   9
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1       -1.521   0.180  -1.434  0.00  0.00    -0.492 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -2.410  -0.096  -0.429  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -3.733  -0.253  -0.857  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1       -4.715  -0.527   0.082  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1       -6.169  -0.772  -0.160  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1       -6.735  -0.583   1.254  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1       -5.623  -0.987   2.250  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1       -4.399  -0.660   1.437  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1       -3.093  -0.516   1.874  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -2.096  -0.230   0.932  0.00  0.00    +0.046 A 
BRANCH  22  26
ATOM     26  C   LIG    1       -5.701  -2.465   2.633  0.00  0.00    +0.128 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.882  -2.749   3.867  0.00  0.00    +0.305 C 
ATOM     28  O   LIG    1       -3.777  -3.268   3.860  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -5.490  -2.366   5.013  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1       -6.376  -1.978   4.889  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8