REMARK  Name = BDB006959
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.081   1.121  -0.326  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.974   0.357   0.409  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        2.328   0.138   0.086  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        2.923  -0.683   1.035  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        4.250  -1.011   0.885  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        4.993  -0.566  -0.150  0.00  0.00    -0.254 NA
ATOM      7  C   LIG    1        4.392   0.241  -1.069  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1        1.968  -1.064   2.132  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        2.371  -0.409   3.458  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        1.855  -2.582   2.297  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        3.056   0.620  -0.986  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        0.643  -0.459   1.595  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1        0.371   1.723  -1.364  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1        5.234   0.697  -2.166  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        6.565   0.352  -2.300  0.00  0.00    +0.204 A 
ATOM     16  O   LIG    1        7.107   0.916  -3.410  0.00  0.00    -0.470 OA
ATOM     17  C   LIG    1        6.121   1.634  -4.004  0.00  0.00    +0.195 A 
ATOM     18  C   LIG    1        4.953   1.535  -3.284  0.00  0.00    +0.051 A 
ENDBRANCH   7  14
BRANCH   1  19
ATOM     19  C   LIG    1       -1.356   1.225   0.216  0.00  0.00    +0.181 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -3.503   0.043   0.611  0.00  0.00    +0.097 C 
ATOM     21  N   LIG    1       -2.102  -0.049   0.089  0.00  0.00    -0.286 NA
ATOM     22  C   LIG    1       -2.180  -0.503  -1.326  0.00  0.00    +0.103 C 
ATOM     23  C   LIG    1       -3.101   0.357  -2.233  0.00  0.00    +0.065 C 
ATOM     24  C   LIG    1       -3.170  -0.241  -3.638  0.00  0.00    +0.025 C 
ATOM     25  N   LIG    1       -4.467   0.449  -1.692  0.00  0.00    -0.311 NA
ATOM     26  H   LIG    1       -5.018   1.101  -2.249  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -4.455   0.887  -0.288  0.00  0.00    +0.102 C 
BRANCH  20  28
ATOM     28  C   LIG    1       -3.589   0.513   2.085  0.00  0.00    +0.179 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -5.291  -0.878   3.006  0.00  0.00    +0.194 C 
ATOM     30  O   LIG    1       -4.911   0.438   2.627  0.00  0.00    -0.381 OA
ENDBRANCH  28  30
ENDBRANCH  20  28
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 5