REMARK  Name = BDB008646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.225  -2.366  -0.034  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -1.533  -3.056   1.302  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   8
ATOM      3  N   LIG    1        3.654  -0.980   0.399  0.00  0.00    -0.263 N 
ATOM      4  C   LIG    1        2.542  -1.653  -0.045  0.00  0.00    +0.069 A 
ATOM      5  C   LIG    1        3.006  -2.508  -1.037  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        2.094  -3.349  -1.696  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        0.738  -3.287  -1.346  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        0.267  -2.403  -0.359  0.00  0.00    -0.025 A 
ATOM      9  C   LIG    1        4.404  -2.268  -1.104  0.00  0.00    +0.068 A 
ATOM     10  C   LIG    1        5.395  -2.918  -1.996  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1        1.188  -1.587   0.320  0.00  0.00    +0.033 A 
ATOM     12  N   LIG    1        4.795  -1.339  -0.224  0.00  0.00    -0.175 NA
BRANCH   3  13
ATOM     13  C   LIG    1        3.715   0.025   1.445  0.00  0.00    +0.146 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.713   1.455   0.914  0.00  0.00    +0.051 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.364   1.877   0.343  0.00  0.00    +0.161 C 
BRANCH  15  17
ATOM     16  C   LIG    1        1.196   3.755  -0.465  0.00  0.00    +0.193 C 
ATOM     17  O   LIG    1        2.456   3.250  -0.041  0.00  0.00    -0.383 OA
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   3  13
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1       -1.838  -1.022  -0.202  0.00  0.00    -0.290 N 
ATOM     19  C   LIG    1       -1.820  -0.082   0.836  0.00  0.00    +0.235 C 
ATOM     20  O   LIG    1       -1.255  -0.281   1.918  0.00  0.00    -0.274 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -2.614   1.233   0.644  0.00  0.00    +0.155 C 
ATOM     22  N   LIG    1       -1.856   2.345   1.294  0.00  0.00    -0.303 NA
ATOM     23  H   LIG    1       -1.657   2.039   2.250  0.00  0.00    +0.123 HD
ATOM     24  C   LIG    1       -2.695   3.552   1.336  0.00  0.00    +0.096 C 
ATOM     25  C   LIG    1       -4.084   3.320   1.966  0.00  0.00    +0.096 C 
ATOM     26  N   LIG    1       -4.833   2.243   1.302  0.00  0.00    -0.313 NA
ATOM     27  H   LIG    1       -5.693   2.063   1.819  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -4.017   1.018   1.265  0.00  0.00    +0.109 C 
ENDBRANCH  19  21
BRANCH  18  29
ATOM     29  C   LIG    1       -2.527  -0.774  -1.456  0.00  0.00    +0.077 C 
ATOM     30  C   LIG    1       -1.990   0.225  -2.454  0.00  0.00    +0.024 C 
ATOM     31  C   LIG    1       -2.009  -1.226  -2.801  0.00  0.00    +0.024 C 
ENDBRANCH  18  29
ENDBRANCH   1  18
TORSDOF 8