REMARK  Name = BDB045051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.151   0.347   1.079  0.00  0.00    +0.224 C 
ATOM      2  N   LIG    1        0.298  -0.696   0.180  0.00  0.00    -0.256 N 
ATOM      3  H   LIG    1        1.220  -1.044  -0.040  0.00  0.00    +0.158 HD
ATOM      4  O   LIG    1       -0.938   0.846   1.367  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.668  -1.288  -0.579  0.00  0.00    +0.188 C 
ATOM      6  N   LIG    1       -0.214  -2.160  -1.402  0.00  0.00    -0.270 NA
ATOM      7  H   LIG    1       -1.000  -2.591  -1.893  0.00  0.00    +0.190 HD
BRANCH   5   8
ATOM      8  N   LIG    1       -1.970  -0.948  -0.414  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1       -2.092  -0.178   0.251  0.00  0.00    +0.163 HD
BRANCH   8  10
ATOM     10  C   LIG    1       -2.917  -0.883  -1.505  0.00  0.00    +0.151 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.254  -0.411  -0.991  0.00  0.00    -0.028 A 
ATOM     12  C   LIG    1       -5.160  -1.319  -0.425  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -6.390  -0.879   0.067  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -6.722   0.473   0.007  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.824   1.387  -0.540  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.593   0.950  -1.033  0.00  0.00    +0.005 A 
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   5   8
ENDBRANCH   2   5
BRANCH   1  17
ATOM     17  C   LIG    1        1.431   0.788   1.767  0.00  0.00    +0.132 C 
BRANCH  17  20
ATOM     18  C   LIG    1        4.827   0.023   0.197  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1        3.695  -0.019   1.018  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1        2.639   0.898   0.863  0.00  0.00    -0.017 A 
ATOM     21  C   LIG    1        2.748   1.873  -0.139  0.00  0.00    +0.045 A 
ATOM     22 CL   LIG    1        1.512   3.049  -0.405  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1        3.877   1.920  -0.960  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        4.914   0.997  -0.795  0.00  0.00    +0.047 A 
BRANCH  18  26
ATOM     25  C   LIG    1        6.925  -0.953  -0.350  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        5.761  -0.936   0.469  0.00  0.00    -0.495 OA
ENDBRANCH  18  26
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 7