REMARK  Name = BDB021994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.552  -2.000  -1.138  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        0.868  -1.422  -0.306  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1       -0.487  -1.653  -0.157  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1       -1.019  -0.832   0.104  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1        1.295  -0.494   0.618  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        0.651  -0.338   1.379  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        2.575   0.081   0.731  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1        3.571  -0.043  -0.239  0.00  0.00    +0.036 A 
ATOM      9  C   LIG    1        4.817   0.571  -0.051  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        5.862   0.450  -1.109  0.00  0.00    +0.244 C 
ATOM     11  N   LIG    1        7.112   0.941  -0.806  0.00  0.00    -0.311 N 
ATOM     12  H   LIG    1        7.816   0.716  -1.499  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        7.502   1.227   0.554  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        6.412   1.996   1.291  0.00  0.00    +0.054 C 
ATOM     15  O   LIG    1        5.636  -0.051  -2.203  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        5.081   1.312   1.116  0.00  0.00    -0.034 A 
ATOM     17  C   LIG    1        4.074   1.454   2.073  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        2.833   0.841   1.880  0.00  0.00    +0.023 A 
ENDBRANCH   5   7
BRANCH   3  19
ATOM     19  C   LIG    1       -1.201  -2.526  -1.089  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1       -2.500  -3.020  -0.452  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1       -3.487  -1.872  -0.193  0.00  0.00    +0.086 C 
ATOM     22  N   LIG    1       -3.259  -0.701  -1.062  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1       -2.887  -1.124  -2.414  0.00  0.00    +0.086 C 
ATOM     24  C   LIG    1       -1.508  -1.799  -2.409  0.00  0.00    +0.038 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -4.425   0.196  -1.083  0.00  0.00    +0.119 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.651   0.889   0.244  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1       -3.720   1.824   0.721  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.921   2.466   1.944  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.053   2.178   2.703  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.985   1.249   2.242  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.786   0.607   1.018  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   3  19
TORSDOF 4