REMARK  Name = BDB049975
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.340  -0.026  -1.537  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1        0.431  -0.420  -0.569  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -0.725  -1.283  -0.979  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.524  -1.522   0.286  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.518  -1.385   1.367  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.292  -0.199   0.835  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.967  -0.447  -2.764  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.397   0.556   0.012  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1        4.617   1.459  -0.976  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        5.461   2.074  -1.133  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1        3.583   1.367  -1.633  0.00  0.00    -0.169 NA
ATOM     12  C   LIG    1        2.565   0.735  -1.590  0.00  0.00    +0.147 A 
ATOM     13  C   LIG    1        3.221   0.031  -0.203  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.622  -0.390   0.443  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        5.416   0.294   1.095  0.00  0.00    +0.031 C 
ATOM     16  C   LIG    1        5.888   1.581   1.703  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -2.645  -0.604   0.361  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -2.523   0.306   0.869  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -3.902  -0.891  -0.223  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -4.057  -1.973  -0.822  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -5.000   0.072  -0.121  0.00  0.00    +0.039 C 
ATOM     22  C   LIG    1       -4.586   1.502  -0.097  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1       -5.831  -0.162   1.159  0.00  0.00    +0.020 C 
ATOM     24  C   LIG    1       -6.018  -0.111  -1.249  0.00  0.00    +0.020 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4