REMARK  Name = BDB056074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.161  -0.622   0.324  0.00  0.00    +0.182 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -1.198   0.614   1.098  0.00  0.00    -0.280 N 
ATOM      3  C   LIG    1       -1.332   1.914   0.588  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -1.411   2.784   1.678  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -1.545   4.146   1.538  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -1.597   4.632   0.230  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -1.520   3.765  -0.881  0.00  0.00    +0.022 A 
ATOM      8 CL   LIG    1       -1.762   6.325  -0.035  0.00  0.00    -0.083 Cl
ATOM      9  N   LIG    1       -1.343   2.030   2.844  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1       -1.399   2.362   3.794  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1       -1.385   2.382  -0.708  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1       -1.233   0.673   2.507  0.00  0.00    +0.328 A 
ATOM     13  O   LIG    1       -1.181  -0.254   3.294  0.00  0.00    -0.247 OA
ENDBRANCH   1   2
BRANCH   1  15
ATOM     14  O   LIG    1        0.380  -2.521   0.274  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1        0.213  -1.319   0.472  0.00  0.00    +0.237 C 
ATOM     16  N   LIG    1        1.275  -0.456   0.677  0.00  0.00    -0.311 N 
ATOM     17  H   LIG    1        1.073   0.536   0.711  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.661  -0.901   0.690  0.00  0.00    +0.073 C 
ATOM     19  C   LIG    1        3.493   0.018   1.601  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1        4.956   0.060   1.181  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1        5.119   0.606  -0.239  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1        3.930   0.298  -1.152  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1        3.220  -0.988  -0.743  0.00  0.00    +0.022 C 
ENDBRANCH  16  18
ENDBRANCH   1  15
BRANCH   1  24
ATOM     24  C   LIG    1       -2.326  -1.567   0.675  0.00  0.00    +0.069 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.981  -2.143  -0.562  0.00  0.00    -0.045 A 
ATOM     26  C   LIG    1       -2.514  -3.338  -1.124  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.102  -3.851  -2.281  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.160  -3.175  -2.886  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.631  -1.984  -2.336  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.043  -1.468  -1.180  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 5