REMARK  Name = BDB047599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.860  -2.259   0.594  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -2.771  -1.259   0.233  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -3.809  -1.545  -0.665  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -3.931  -2.849  -1.171  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -3.036  -3.850  -0.786  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.002  -3.558   0.101  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        2.424   0.864   0.683  0.00  0.00    +0.078 C 
ATOM      8  C   LIG    1        1.728  -0.009  -0.377  0.00  0.00    +0.032 C 
ATOM      9  C   LIG    1        0.269  -0.304  -0.040  0.00  0.00    +0.109 C 
ATOM     10  N   LIG    1        0.127  -0.943   1.267  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1       -0.766  -1.977   1.550  0.00  0.00    +0.247 C 
ATOM     12  O   LIG    1       -0.697  -2.673   2.561  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        1.128  -0.619   2.282  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        1.723   0.765   2.054  0.00  0.00    +0.032 C 
BRANCH   7  16
ATOM     15  N   LIG    1        4.760   0.790  -0.249  0.00  0.00    -0.304 N 
ATOM     16  C   LIG    1        3.901   0.464   0.797  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        4.303  -0.160   1.782  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        4.386   1.499  -1.465  0.00  0.00    +0.132 C 
BRANCH  15  19
ATOM     19  C   LIG    1        6.132   0.275  -0.191  0.00  0.00    +0.110 C 
BRANCH  19  20
ATOM     20  C   LIG    1        7.057   1.100   0.729  0.00  0.00    +0.003 C 
ATOM     21  C   LIG    1        7.312   2.504   0.175  0.00  0.00    +0.009 C 
BRANCH  20  23
ATOM     22  C   LIG    1        9.253   0.092  -0.204  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        8.379   0.357   1.014  0.00  0.00    +0.001 C 
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   7  16
ENDBRANCH   1  11
BRANCH   3  24
ATOM     24  C   LIG    1       -4.807  -0.478  -1.056  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -6.127  -0.502  -0.291  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1       -7.189   0.459  -0.690  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -8.395   0.409   0.006  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1       -9.443   1.280  -0.317  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1       -9.281   2.209  -1.343  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -8.076   2.266  -2.043  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -8.557  -0.571   1.093  0.00  0.00    +0.272 A 
ATOM     32  O   LIG    1       -9.605  -0.660   1.723  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -7.469  -1.367   1.351  0.00  0.00    -0.242 N 
ATOM     34  H   LIG    1       -7.555  -2.051   2.096  0.00  0.00    +0.192 HD
ATOM     35  C   LIG    1       -7.030   1.396  -1.720  0.00  0.00    +0.010 A 
ATOM     36  N   LIG    1       -6.286  -1.349   0.683  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7