REMARK  Name = BDB032469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.791  -1.403   0.638  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1        0.845  -2.372   1.572  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -0.056  -3.369   1.462  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1       -1.024  -3.431   0.472  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1       -1.090  -2.401  -0.472  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -0.147  -1.371  -0.383  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        1.673  -0.344   0.683  0.00  0.00    -0.473 OA
BRANCH   7   8
ATOM      8  C   LIG    1        2.807  -0.531   1.541  0.00  0.00    +0.271 C 
BRANCH   8  13
ATOM      9  C   LIG    1        6.356   2.345   0.750  0.00  0.00    +0.104 C 
ATOM     10  N   LIG    1        5.493   1.171   0.858  0.00  0.00    -0.305 NA
ATOM     11  C   LIG    1        4.756   0.945  -0.396  0.00  0.00    +0.087 C 
ATOM     12  C   LIG    1        4.279  -0.500  -0.560  0.00  0.00    +0.059 C 
ATOM     13  C   LIG    1        4.002  -1.159   0.789  0.00  0.00    +0.148 C 
ATOM     14  F   LIG    1        3.708  -2.475   0.543  0.00  0.00    -0.238 F 
ATOM     15  C   LIG    1        5.272  -1.143   1.657  0.00  0.00    +0.059 C 
ATOM     16  C   LIG    1        6.236  -0.013   1.281  0.00  0.00    +0.087 C 
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   5  17
ATOM     17  C   LIG    1       -2.112  -2.461  -1.581  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.500  -1.144  -2.078  0.00  0.00    -0.340 N 
ATOM     19  H   LIG    1       -2.583  -1.130  -3.091  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.517  -0.406  -1.465  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -4.079   0.668  -2.171  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -5.062   1.507  -1.609  0.00  0.00    -0.011 A 
ATOM     23  C   LIG    1       -5.488   1.297  -0.283  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1       -6.479   2.170   0.231  0.00  0.00    +0.124 A 
ATOM     25  N   LIG    1       -7.019   3.173  -0.485  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1       -6.583   3.346  -1.747  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1       -4.891   0.242   0.440  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -5.622   2.554  -2.346  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -3.916  -0.581  -0.140  0.00  0.00    +0.023 A 
BRANCH  24  30
ATOM     30  N   LIG    1       -6.955   2.037   1.546  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1       -6.178   2.148   2.190  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1       -7.346   1.108   1.666  0.00  0.00    +0.144 HD
ENDBRANCH  24  30
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 7