REMARK  Name = BDB012936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.267  -1.166  -0.206  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1       -0.279  -1.273   0.958  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        0.995  -0.838   0.405  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1        2.111  -0.771   1.224  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        2.026  -1.045   2.420  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.801  -0.187  -0.885  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1       -0.704   0.016  -0.996  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        3.359  -0.362   0.632  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1        3.815  -0.707  -0.609  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1        3.364  -1.307  -1.290  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1        5.009  -0.183  -0.924  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1        5.386   0.456   0.191  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1        4.395   0.357   1.196  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1        6.710   1.159   0.279  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1        7.881   0.187   0.118  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1        6.815   2.302  -0.732  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  18
ATOM     17  C   LIG    1       -3.677  -1.149  -0.681  0.00  0.00    +0.222 C 
ATOM     18  N   LIG    1       -2.641  -0.965   0.201  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -2.843  -0.512   1.084  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1       -3.549  -1.537  -1.834  0.00  0.00    -0.275 OA
BRANCH  17  21
ATOM     21  C   LIG    1       -5.027  -0.781  -0.145  0.00  0.00    +0.070 C 
ATOM     22  C   LIG    1       -6.034  -1.916   0.003  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -5.436  -1.302   1.232  0.00  0.00    +0.019 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -5.556   0.551  -0.649  0.00  0.00    +0.175 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -7.268   2.159  -0.452  0.00  0.00    +0.194 C 
ATOM     26  O   LIG    1       -6.721   0.957   0.073  0.00  0.00    -0.382 OA
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH  17  21
ENDBRANCH   1  18
TORSDOF 6