REMARK  Name = BDB012960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.038  -1.841  -0.639  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1       -1.355  -1.526  -0.942  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -2.416  -2.502  -0.748  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -3.707  -1.690  -0.887  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -3.313  -0.653  -1.940  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -1.865  -0.322  -1.585  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.250  -2.964  -0.218  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        3.051   0.125  -0.929  0.00  0.00    +0.057 A 
ATOM      9  N   LIG    1        2.041   1.022  -1.133  0.00  0.00    -0.279 N 
ATOM     10  H   LIG    1        2.120   2.017  -1.316  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1        0.814   0.486  -1.054  0.00  0.00    -0.169 NA
ATOM     12  C   LIG    1        1.024  -0.824  -0.817  0.00  0.00    +0.147 A 
ATOM     13  C   LIG    1        2.422  -1.082  -0.720  0.00  0.00    +0.059 A 
BRANCH   8  14
ATOM     14  C   LIG    1        4.497   0.498  -0.943  0.00  0.00    +0.118 C 
ATOM     15  C   LIG    1        4.853   1.354  -2.160  0.00  0.00    +0.034 C 
BRANCH  14  18
ATOM     16  C   LIG    1        6.154   1.963   2.127  0.00  0.00    +0.109 C 
ATOM     17  C   LIG    1        6.053   1.419   0.727  0.00  0.00    +0.210 C 
ATOM     18  N   LIG    1        4.762   1.170   0.316  0.00  0.00    -0.308 N 
ATOM     19  H   LIG    1        4.079   1.046   1.053  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        7.045   1.210   0.038  0.00  0.00    -0.276 OA
ENDBRANCH  14  18
ENDBRANCH   8  14
ENDBRANCH   1  12
BRANCH   4  21
ATOM     21  N   LIG    1       -4.075  -1.049   0.370  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1       -3.332  -0.794   1.007  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1       -5.329  -0.524   0.570  0.00  0.00    +0.216 C 
ATOM     24  O   LIG    1       -6.246  -0.632  -0.233  0.00  0.00    -0.276 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -5.546   0.228   1.837  0.00  0.00    +0.075 C 
ATOM     26  C   LIG    1       -4.527   1.213   2.361  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1       -4.787  -0.062   3.111  0.00  0.00    +0.013 C 
ENDBRANCH  23  25
ENDBRANCH   4  21
TORSDOF 5