REMARK  Name = BDB007841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.342   0.152  -0.461  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        0.799  -0.646   0.468  0.00  0.00    -0.233 NA
ATOM      3  C   LIG    1       -0.555  -0.689   0.576  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -1.139  -1.581   1.624  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1       -2.456  -2.060   1.251  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.381  -1.161   0.715  0.00  0.00    +0.314 C 
ATOM      7  N   LIG    1       -2.837  -0.056   0.022  0.00  0.00    -0.222 N 
ATOM      8  O   LIG    1       -4.590  -1.355   0.857  0.00  0.00    -0.252 OA
ATOM      9  C   LIG    1       -2.967  -3.186   2.009  0.00  0.00    +0.134 C 
ATOM     10  C   LIG    1       -1.427   0.078  -0.185  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1       -0.839   0.884  -1.163  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        0.552   0.926  -1.301  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1       -3.712   0.941  -0.524  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1       -3.445   2.310  -0.340  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1       -4.305   3.286  -0.855  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1       -5.449   2.902  -1.550  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -6.505   4.101  -2.185  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -5.742   1.554  -1.726  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -4.881   0.580  -1.209  0.00  0.00    +0.025 A 
ENDBRANCH   7  13
BRANCH   1  21
ATOM     20  C   LIG    1        3.662  -0.467   0.132  0.00  0.00    +0.235 C 
ATOM     21  N   LIG    1        2.730   0.226  -0.624  0.00  0.00    -0.269 N 
ATOM     22  H   LIG    1        3.071   0.837  -1.350  0.00  0.00    +0.156 HD
ATOM     23  O   LIG    1        3.433  -1.243   1.056  0.00  0.00    -0.274 OA
BRANCH  20  24
ATOM     24  C   LIG    1        5.114  -0.178  -0.328  0.00  0.00    +0.137 C 
ATOM     25  C   LIG    1        5.424  -1.030  -1.556  0.00  0.00    +0.034 C 
BRANCH  24  27
ATOM     26  C   LIG    1        6.087   0.496   1.796  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1        6.086  -0.507   0.736  0.00  0.00    -0.309 NA
ATOM     28  H   LIG    1        5.786  -1.397   1.149  0.00  0.00    +0.122 HD
ENDBRANCH  24  27
ENDBRANCH  20  24
ENDBRANCH   1  21
TORSDOF 4