REMARK  Name = BDB049410
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.500   0.030  -0.498  0.00  0.00    -0.312 NA
ATOM      2  H   LIG    1        0.622   0.219   0.495  0.00  0.00    +0.122 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.619  -0.785  -0.965  0.00  0.00    +0.116 C 
BRANCH   3   9
ATOM      4 CL   LIG    1        6.840   2.089   0.082  0.00  0.00    -0.082 Cl
ATOM      5  C   LIG    1        5.362   1.231  -0.180  0.00  0.00    +0.059 A 
ATOM      6  C   LIG    1        5.018   0.088   0.550  0.00  0.00    +0.060 A 
ATOM      7 CL   LIG    1        6.040  -0.568   1.780  0.00  0.00    -0.082 Cl
ATOM      8  C   LIG    1        3.807  -0.566   0.294  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        2.932  -0.088  -0.692  0.00  0.00    -0.032 A 
ATOM     10  C   LIG    1        3.285   1.062  -1.413  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        4.493   1.716  -1.160  0.00  0.00    +0.022 A 
ENDBRANCH   3   9
ENDBRANCH   1   3
BRANCH   1  12
ATOM     12  C   LIG    1       -0.780  -0.637  -0.740  0.00  0.00    +0.084 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.971   0.226  -0.279  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1       -2.050   0.397   1.253  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -3.092  -0.528   1.878  0.00  0.00    +0.081 C 
ATOM     16  N   LIG    1       -4.440  -0.280   1.370  0.00  0.00    -0.316 NA
ATOM     17  H   LIG    1       -5.018  -1.105   1.529  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -4.489   0.111  -0.038  0.00  0.00    +0.081 C 
ATOM     19  C   LIG    1       -3.280  -0.366  -0.835  0.00  0.00    +0.020 C 
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 4