REMARK  Name = BDB059117
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.477  -1.479  -0.426  0.00  0.00    +0.023 C 
ATOM      2  C   LIG    1       -0.842  -1.001  -1.835  0.00  0.00    +0.148 C 
ATOM      3  C   LIG    1       -2.278  -1.507  -2.044  0.00  0.00    +0.166 C 
ATOM      4  C   LIG    1       -2.901  -1.564  -0.633  0.00  0.00    +0.120 C 
ATOM      5  C   LIG    1       -1.770  -1.224   0.353  0.00  0.00    +0.034 C 
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1       -4.071  -0.716  -0.468  0.00  0.00    -0.326 N 
ATOM      7  C   LIG    1       -4.135   0.632  -0.728  0.00  0.00    +0.146 A 
ATOM      8  C   LIG    1       -5.422   1.066  -0.439  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1       -5.689   2.427  -0.642  0.00  0.00    +0.129 A 
ATOM     10  N   LIG    1       -4.701   3.225  -1.092  0.00  0.00    -0.220 NA
ATOM     11  C   LIG    1       -3.498   2.673  -1.337  0.00  0.00    +0.225 A 
ATOM     12  C   LIG    1       -6.151  -0.071   0.005  0.00  0.00    +0.032 A 
ATOM     13  N   LIG    1       -3.123   1.391  -1.182  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1       -5.295  -1.153  -0.019  0.00  0.00    +0.089 A 
BRANCH   9  15
ATOM     15  N   LIG    1       -6.919   3.016  -0.389  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -6.826   4.023  -0.328  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -7.462   2.569   0.336  0.00  0.00    +0.144 HD
ENDBRANCH   9  15
ENDBRANCH   4   6
BRANCH   2  18
ATOM     18  O   LIG    1        0.035  -1.542  -2.818  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -0.043  -2.512  -2.748  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1       -2.233  -2.835  -2.601  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1       -2.037  -2.712  -3.550  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   1  22
ATOM     22  C   LIG    1        0.720  -0.758   0.208  0.00  0.00    +0.011 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.041  -1.004  -0.532  0.00  0.00    +0.037 C 
BRANCH  23  29
ATOM     24  C   LIG    1        7.333   0.760   3.234  0.00  0.00    +0.065 C 
ATOM     25  C   LIG    1        6.477   1.224   2.119  0.00  0.00    +0.040 A 
ATOM     26  N   LIG    1        5.413   0.509   1.605  0.00  0.00    -0.302 N 
ATOM     27  C   LIG    1        4.875   1.277   0.580  0.00  0.00    +0.138 A 
ATOM     28  C   LIG    1        3.753   0.747  -0.115  0.00  0.00    +0.051 A 
ATOM     29  C   LIG    1        3.231  -0.455   0.227  0.00  0.00    -0.024 A 
ATOM     30  C   LIG    1        3.844  -1.233   1.314  0.00  0.00    +0.061 A 
ATOM     31 CL   LIG    1        3.232  -2.782   1.766  0.00  0.00    -0.082 Cl
ATOM     32  N   LIG    1        5.528   2.409   0.428  0.00  0.00    -0.236 NA
ATOM     33  C   LIG    1        4.907  -0.734   1.969  0.00  0.00    +0.113 A 
ATOM     34  C   LIG    1        6.518   2.385   1.373  0.00  0.00    +0.134 A 
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7