REMARK  Name = BDB007693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.747   2.059  -0.017  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.744   1.313  -0.594  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.830   0.307  -0.635  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.610   3.241   0.277  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  C   LIG    1       -8.323  -2.226   1.014  0.00  0.00    +0.065 C 
ATOM      6  C   LIG    1       -7.030  -1.595   0.593  0.00  0.00    +0.039 A 
ATOM      7  N   LIG    1       -6.593  -0.536   1.315  0.00  0.00    -0.252 NA
ATOM      8  C   LIG    1       -5.439   0.054   0.963  0.00  0.00    +0.071 A 
ATOM      9  C   LIG    1       -4.663  -0.392  -0.128  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.458   0.254  -0.459  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -3.013   1.344   0.296  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -3.789   1.799   1.363  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -5.137  -1.487  -0.861  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -4.985   1.149   1.686  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1       -6.333  -2.097  -0.498  0.00  0.00    +0.023 A 
ENDBRANCH   1  11
BRANCH   2  16
ATOM     16  C   LIG    1        0.551   1.884  -0.958  0.00  0.00    +0.137 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.405   2.277   0.267  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.016   3.567   0.763  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1        0.035   3.617   0.702  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        2.907   2.356  -0.086  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.507   1.090  -0.553  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1        3.589   0.102   0.543  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        4.364  -1.149   0.181  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        5.270  -1.153  -0.893  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1        5.994  -2.315  -1.191  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        5.840  -3.460  -0.410  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.959  -3.454   0.669  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.413   0.072  -1.758  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        4.226  -2.304   0.966  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        4.859   1.335  -1.085  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6