REMARK  Name = BDB007504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.062  -0.614  -0.613  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        2.263   0.467  -0.911  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        2.416   1.336  -0.415  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        2.775  -1.762  -0.932  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        6.140   1.091   0.813  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        4.990   0.869   0.044  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        4.287  -0.335   0.181  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        4.746  -1.319   1.065  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        5.881  -1.089   1.843  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        6.571   0.118   1.724  0.00  0.00    +0.013 A 
BRANCH   5  14
ATOM     11  N   LIG    1        6.872   3.018  -0.486  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        6.617   2.546  -1.343  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        7.524   3.789  -0.571  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        6.917   2.352   0.708  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1        7.596   2.768   1.637  0.00  0.00    -0.270 OA
ENDBRANCH   5  14
ENDBRANCH   1   7
BRANCH   2  16
ATOM     16  C   LIG    1        1.010   0.330  -1.649  0.00  0.00    +0.137 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.101  -0.369  -0.834  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  O   LIG    1        0.074  -1.792  -0.904  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1        1.037  -1.976  -0.845  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -1.499  -0.014  -1.403  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.615  -0.117  -0.433  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -3.863   0.349  -1.076  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -5.102   0.165  -0.228  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.126  -0.774   0.816  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -6.296  -0.955   1.566  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.445  -0.226   1.264  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.433   0.692   0.216  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.873  -1.532   1.169  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -6.269   0.884  -0.528  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -2.809  -1.491   0.062  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 7