REMARK  Name = BDB025081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.900  -2.418  -0.952  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.192  -1.230  -1.206  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.966  -0.112  -1.785  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.339  -0.387  -3.251  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.272   1.258  -1.723  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.503   1.411  -0.428  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.474   0.318  -0.389  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.155   0.546   0.052  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.584   1.710   0.492  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.674   1.429   0.781  0.00  0.00    +0.117 A 
ATOM     11  N   LIG    1       -0.934   0.088   0.562  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.231  -0.490   0.079  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.565  -1.784  -0.331  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        1.881  -2.006  -0.759  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.844  -0.989  -0.777  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.054  -2.612  -1.327  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.164  -0.656   0.819  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -2.457  -0.827   2.324  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -3.944  -1.088   2.607  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -4.611  -1.887   1.485  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -4.556  -1.147   0.144  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -3.384  -0.166   0.032  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.143  -1.728   3.968  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -4.647  -1.141   4.913  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -3.697  -2.997   4.072  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -3.291  -3.368   3.269  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        4.973  -4.504   0.127  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        4.229  -3.326  -0.186  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -1.639   2.456   1.292  0.00  0.00    +0.129 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.191   3.353   0.204  0.00  0.00    +0.049 A 
ATOM     31  N   LIG    1       -3.536   3.340   0.010  0.00  0.00    -0.258 NA
ATOM     32  C   LIG    1       -4.034   4.155  -0.954  0.00  0.00    +0.131 A 
ATOM     33  C   LIG    1       -3.255   4.989  -1.739  0.00  0.00    +0.059 A 
ATOM     34 CL   LIG    1       -3.965   5.987  -2.941  0.00  0.00    -0.082 Cl
ATOM     35  C   LIG    1       -1.884   4.998  -1.530  0.00  0.00    +0.023 A 
ATOM     36  C   LIG    1       -1.342   4.173  -0.544  0.00  0.00    +0.025 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6