REMARK  Name = BDB009068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.610   0.825  -1.774  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.346  -0.194  -1.648  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.522  -0.192  -2.416  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        1.712   0.833  -3.350  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.764   1.846  -3.486  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.390   1.843  -2.700  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.791   1.639  -0.841  0.00  0.00    +0.250 C 
ATOM      8  N   LIG    1       -1.749   0.738  -0.952  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -1.784  -0.045  -0.315  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -2.862   2.729  -1.396  0.00  0.00    -0.270 OA
BRANCH   7  17
ATOM     11  C   LIG    1       -6.437   1.778   2.716  0.00  0.00    +0.063 C 
ATOM     12  C   LIG    1       -5.451   1.326   1.699  0.00  0.00    +0.016 A 
ATOM     13  N   LIG    1       -5.256   0.008   1.351  0.00  0.00    -0.350 N 
ATOM     14  C   LIG    1       -5.952  -1.118   1.945  0.00  0.00    +0.149 C 
ATOM     15  C   LIG    1       -4.324  -0.079   0.332  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -4.017  -1.370  -0.352  0.00  0.00    +0.064 C 
ATOM     17  C   LIG    1       -3.832   1.207   0.101  0.00  0.00    +0.058 A 
ATOM     18  C   LIG    1       -4.585   2.080   0.936  0.00  0.00    +0.035 A 
ENDBRANCH   7  17
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1        2.544  -1.300  -2.290  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.887  -1.666  -0.848  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1        3.888  -0.847  -0.095  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1        4.538   0.352  -0.727  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1        5.293   1.235   0.272  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        6.096   0.394   1.256  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        5.185  -0.558   2.033  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1        4.170  -1.241   1.159  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        3.473  -2.413   1.745  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1        3.692  -2.791   2.891  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1        2.571  -3.042   0.932  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1        2.093  -3.852   1.311  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1        2.272  -2.698  -0.349  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 4