REMARK  Name = BDB012842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.151  -1.623   0.246  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        0.332  -0.681   1.349  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.663  -0.264   0.922  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.437   0.529   1.751  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        1.977   0.940   2.817  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.909  -0.650  -0.459  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.544  -1.061  -0.998  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1       -3.858  -0.841  -0.207  0.00  0.00    -0.013 A 
ATOM      9  C   LIG    1       -2.472  -0.662  -0.122  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -1.645  -1.753   0.138  0.00  0.00    +0.047 A 
ATOM     11  N   LIG    1       -2.143  -3.000   0.308  0.00  0.00    -0.256 NA
ATOM     12  C   LIG    1       -3.481  -3.178   0.228  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -4.002  -4.571   0.420  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1       -4.361  -2.132  -0.024  0.00  0.00    +0.031 A 
BRANCH   8  19
ATOM     15  C   LIG    1       -7.264   3.628  -1.389  0.00  0.00    +0.065 C 
ATOM     16  C   LIG    1       -6.395   2.452  -1.056  0.00  0.00    +0.038 A 
ATOM     17  N   LIG    1       -5.362   2.187  -1.887  0.00  0.00    -0.260 NA
ATOM     18  C   LIG    1       -4.577   1.124  -1.582  0.00  0.00    +0.119 A 
ATOM     19  C   LIG    1       -4.754   0.291  -0.478  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.834   0.596   0.356  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -6.662   1.682   0.070  0.00  0.00    +0.023 A 
ENDBRANCH   8  19
ENDBRANCH   1  10
BRANCH   4  22
ATOM     22  C   LIG    1        3.778   0.891   1.359  0.00  0.00    +0.121 A 
ATOM     23  N   LIG    1        4.431   1.909   2.007  0.00  0.00    -0.272 N 
ATOM     24  H   LIG    1        4.066   2.468   2.772  0.00  0.00    +0.189 HD
ATOM     25  N   LIG    1        5.665   2.161   1.546  0.00  0.00    -0.178 NA
ATOM     26  C   LIG    1        5.849   1.239   0.597  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1        4.703   0.417   0.451  0.00  0.00    +0.057 A 
BRANCH  26  28
ATOM     28  C   LIG    1        7.152   1.172  -0.149  0.00  0.00    +0.033 C 
ATOM     29  C   LIG    1        6.954   1.406  -1.648  0.00  0.00    +0.014 C 
ATOM     30  C   LIG    1        7.872  -0.156   0.096  0.00  0.00    +0.014 C 
ENDBRANCH  26  28
ENDBRANCH   4  22
TORSDOF 4