REMARK  Name = BDB001739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.017  -0.519  -0.741  0.00  0.00    +0.243 A 
ATOM      2  N   LIG    1        1.370   0.636  -0.890  0.00  0.00    -0.131 NA
ATOM      3  N   LIG    1        0.154   0.327  -0.413  0.00  0.00    -0.224 N 
ATOM      4  C   LIG    1       -0.957   1.278  -0.346  0.00  0.00    +0.143 C 
ATOM      5  C   LIG    1       -2.286   0.491  -0.316  0.00  0.00    +0.058 C 
ATOM      6  C   LIG    1       -2.203  -0.706   0.654  0.00  0.00    +0.106 C 
ATOM      7  N   LIG    1       -1.089  -1.565   0.280  0.00  0.00    -0.307 N 
ATOM      8  H   LIG    1       -1.044  -2.473   0.737  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        0.075  -1.001  -0.093  0.00  0.00    +0.216 A 
ATOM     10  N   LIG    1        1.250  -1.550  -0.256  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -3.494  -1.506   0.648  0.00  0.00    -0.027 A 
ATOM     12  C   LIG    1       -4.366  -1.442   1.747  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -5.564  -2.162   1.748  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -5.902  -2.950   0.650  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -7.377  -3.834   0.654  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -5.051  -3.026  -0.449  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -3.853  -2.307  -0.450  0.00  0.00    +0.007 A 
ENDBRANCH   6  11
BRANCH   4  18
ATOM     18  C   LIG    1       -0.746   2.310   0.768  0.00  0.00    -0.023 A 
ATOM     19  C   LIG    1        0.359   3.183   0.687  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        0.600   4.153   1.664  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -0.272   4.280   2.737  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1        0.014   5.472   3.943  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -1.381   3.447   2.835  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -1.620   2.474   1.857  0.00  0.00    +0.007 A 
ENDBRANCH   4  18
BRANCH   1  27
ATOM     25  O   LIG    1        4.022   1.293  -1.714  0.00  0.00    -0.266 OA
ATOM     26  C   LIG    1        4.249   0.107  -1.493  0.00  0.00    +0.286 C 
ATOM     27  N   LIG    1        3.323  -0.796  -1.021  0.00  0.00    -0.247 N 
ATOM     28  H   LIG    1        3.569  -1.752  -0.835  0.00  0.00    +0.158 HD
BRANCH  26  29
ATOM     29  C   LIG    1        5.569  -0.478  -1.709  0.00  0.00    +0.189 A 
ATOM     30  O   LIG    1        6.569   0.350  -2.153  0.00  0.00    -0.458 OA
ATOM     31  C   LIG    1        7.696  -0.391  -2.285  0.00  0.00    +0.196 A 
ATOM     32  C   LIG    1        7.455  -1.696  -1.935  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1        6.087  -1.757  -1.564  0.00  0.00    +0.054 A 
ENDBRANCH  26  29
ENDBRANCH   1  27
TORSDOF 4