REMARK  Name = BDB007977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.674  -2.438  -2.653  0.00  0.00    +0.180 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        0.790  -1.302   1.208  0.00  0.00    +0.063 C 
ATOM      3  C   LIG    1        0.625  -0.241   0.120  0.00  0.00    +0.027 C 
ATOM      4  C   LIG    1       -0.368  -0.701  -0.957  0.00  0.00    +0.085 C 
ATOM      5  N   LIG    1       -0.330  -2.151  -1.239  0.00  0.00    -0.294 NA
ATOM      6  C   LIG    1        0.957  -2.752  -0.883  0.00  0.00    +0.085 C 
ATOM      7  C   LIG    1        1.163  -2.673   0.632  0.00  0.00    +0.027 C 
BRANCH   2   8
ATOM      8  C   LIG    1        1.702  -0.899   2.364  0.00  0.00    +0.166 C 
ATOM      9  O   LIG    1        1.389  -1.169   3.525  0.00  0.00    -0.292 OA
BRANCH   8  13
ATOM     10  C   LIG    1        5.414   1.216   1.829  0.00  0.00    +0.121 A 
ATOM     11  C   LIG    1        4.604   1.435   2.945  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        3.401   0.741   3.103  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        2.989  -0.182   2.137  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        3.810  -0.422   1.032  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        5.015   0.277   0.878  0.00  0.00    +0.046 A 
BRANCH  10  16
ATOM     16  O   LIG    1        6.559   1.959   1.806  0.00  0.00    -0.492 OA
BRANCH  16  18
ATOM     17  C   LIG    1        8.428   0.826   0.760  0.00  0.00    +0.048 C 
ATOM     18  C   LIG    1        7.386   1.923   0.644  0.00  0.00    +0.225 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   8  13
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  19
ATOM     19  C   LIG    1       -2.141  -2.101  -2.932  0.00  0.00    +0.227 C 
ATOM     20  N   LIG    1       -3.002  -2.474  -1.922  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1       -2.557  -2.639  -1.020  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.524  -1.544  -3.958  0.00  0.00    -0.274 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -4.407  -2.123  -1.954  0.00  0.00    +0.178 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.564  -0.667  -1.540  0.00  0.00    +0.127 A 
ATOM     25  N   LIG    1       -4.153   0.257  -2.463  0.00  0.00    -0.309 N 
ATOM     26  H   LIG    1       -3.713  -0.051  -3.328  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -4.142   1.595  -2.204  0.00  0.00    +0.257 A 
ATOM     28  O   LIG    1       -3.690   2.422  -2.985  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -4.710   1.975  -0.899  0.00  0.00    +0.064 A 
ATOM     30  C   LIG    1       -4.782   3.428  -0.558  0.00  0.00    +0.202 C 
ATOM     31  O   LIG    1       -5.068   3.645   0.834  0.00  0.00    -0.375 OA
ATOM     32  C   LIG    1       -6.139   2.817   1.292  0.00  0.00    +0.166 C 
ATOM     33  C   LIG    1       -5.719   1.348   1.254  0.00  0.00    +0.084 C 
ATOM     34  C   LIG    1       -5.118   0.991  -0.082  0.00  0.00    +0.056 A 
ATOM     35  N   LIG    1       -5.036  -0.349  -0.375  0.00  0.00    -0.237 NA
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   1  19
TORSDOF 8