REMARK  Name = BDB021295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.066  -0.027  -0.974  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -1.912  -0.118   0.436  0.00  0.00    +0.150 A 
ATOM      3  N   LIG    1       -0.710  -0.614   0.901  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.806  -0.682   2.268  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1       -2.049  -0.172   2.585  0.00  0.00    +0.144 A 
ATOM      6  C   LIG    1        0.343  -0.982   0.039  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.182  -0.905  -1.256  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.727   0.181   1.429  0.00  0.00    -0.222 NA
ATOM      9  C   LIG    1       -1.024  -0.433  -1.729  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -4.580  -1.661  -1.100  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -4.465  -0.300  -1.724  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -3.284   0.453  -1.652  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -3.277   1.716  -2.262  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -4.415   2.183  -2.911  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -5.532   1.369  -2.933  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1       -5.582   0.148  -2.361  0.00  0.00    -0.260 NA
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -2.616  -0.020   3.921  0.00  0.00    +0.261 C 
ATOM     18  O   LIG    1       -2.029  -0.316   4.955  0.00  0.00    -0.269 OA
ATOM     19  N   LIG    1       -3.881   0.490   3.920  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1       -4.334   0.690   3.036  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1       -4.375   0.602   4.792  0.00  0.00    +0.145 HD
ENDBRANCH   5  17
BRANCH   6  22
ATOM     22  N   LIG    1        1.546  -1.439   0.528  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1        2.115  -1.769  -0.249  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.339  -0.648   1.461  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.765  -0.546   0.998  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        4.138   0.198  -0.118  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        3.310   0.955  -1.090  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1        4.415   1.733  -1.804  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1        5.664   1.022  -1.648  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1        5.465   0.260  -0.526  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1        6.474  -0.407   0.138  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1        6.126  -1.152   1.264  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1        4.789  -1.214   1.683  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1        4.497  -1.942   2.770  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 5