REMARK  Name = BDB019539
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.545  -0.196   2.229  0.00  0.00    -0.307 N 
ATOM      2  H   LIG    1       -0.488   0.799   2.397  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.373  -0.789   1.390  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1        0.226  -1.901   0.895  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.582   0.013   1.054  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        2.245  -0.261  -0.152  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        3.391   0.459  -0.525  0.00  0.00    -0.026 A 
ATOM      8  C   LIG    1        3.872   1.453   0.339  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        3.220   1.713   1.545  0.00  0.00    +0.042 A 
ATOM     10 CL   LIG    1        3.834   2.929   2.597  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1        2.081   0.999   1.912  0.00  0.00    +0.033 A 
BRANCH   7  12
ATOM     12  C   LIG    1        4.103   0.146  -1.818  0.00  0.00    +0.158 C 
BRANCH  12  13
ATOM     13  N   LIG    1        5.282  -0.670  -1.591  0.00  0.00    -0.332 N 
ATOM     14  C   LIG    1        6.574  -0.229  -1.610  0.00  0.00    +0.199 A 
ATOM     15  N   LIG    1        7.420  -1.214  -1.405  0.00  0.00    -0.244 NA
ATOM     16  C   LIG    1        6.642  -2.333  -1.254  0.00  0.00    +0.130 A 
ATOM     17  C   LIG    1        5.308  -2.020  -1.375  0.00  0.00    +0.107 A 
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   3   5
BRANCH   1  18
ATOM     18  C   LIG    1       -1.820  -0.819   2.508  0.00  0.00    +0.140 C 
BRANCH  18  23
ATOM     19  C   LIG    1       -4.002  -0.368  -0.580  0.00  0.00    +0.124 A 
ATOM     20  C   LIG    1       -4.808   0.707  -0.188  0.00  0.00    +0.091 A 
ATOM     21  C   LIG    1       -4.658   1.286   1.072  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1       -3.692   0.782   1.946  0.00  0.00    +0.051 A 
ATOM     23  C   LIG    1       -2.882  -0.300   1.575  0.00  0.00    -0.023 A 
ATOM     24  C   LIG    1       -3.041  -0.866   0.301  0.00  0.00    +0.051 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -3.467  -1.940  -2.283  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -4.248  -0.835  -1.844  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
BRANCH  21  27
ATOM     27  O   LIG    1       -5.377   2.340   1.565  0.00  0.00    -0.495 OA
ATOM     28  C   LIG    1       -6.396   2.869   0.725  0.00  0.00    +0.277 C 
ENDBRANCH  21  27
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 7