REMARK  Name = BDB056953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.346  -0.488  -0.237  0.00  0.00    +0.030 C 
ATOM      2  C   LIG    1        0.570  -0.240   0.723  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        1.942  -0.148   0.362  0.00  0.00    +0.150 A 
ATOM      4  N   LIG    1        2.325   0.720  -0.639  0.00  0.00    -0.337 N 
ATOM      5  H   LIG    1        1.711   1.324  -1.166  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        3.686   0.644  -0.786  0.00  0.00    +0.066 A 
ATOM      7  C   LIG    1        4.081  -0.280   0.172  0.00  0.00    +0.089 A 
ATOM      8  C   LIG    1        5.441  -0.597   0.300  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        6.359   0.033  -0.549  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        5.932   0.960  -1.504  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        4.578   1.290  -1.645  0.00  0.00    +0.028 A 
ATOM     12  N   LIG    1        2.998  -0.750   0.874  0.00  0.00    -0.227 NA
ENDBRANCH   2   3
BRANCH   1  15
ATOM     13  C   LIG    1       -4.045   0.162  -0.547  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1       -2.658   0.261  -0.701  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1       -1.796  -0.617  -0.034  0.00  0.00    -0.020 A 
ATOM     16  C   LIG    1       -2.336  -1.619   0.776  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -3.719  -1.723   0.933  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -4.572  -0.834   0.275  0.00  0.00    +0.045 A 
BRANCH  13  20
ATOM     19  C   LIG    1       -6.178   1.057  -1.098  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -4.764   1.089  -1.252  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH   1  15
BRANCH   2  21
ATOM     21  C   LIG    1        0.217  -0.088   2.102  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1       -0.096   0.051   3.212  0.00  0.00    -0.191 NA
ENDBRANCH   2  21
TORSDOF 4