REMARK  Name = BDB003330
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.375  -1.985  -0.597  0.00  0.00    -0.283 N 
ATOM      2  C   LIG    1        0.271  -1.089  -0.607  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.048  -1.538  -0.800  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.117  -0.623  -0.811  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.903   0.755  -0.673  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1       -0.591   1.226  -0.515  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.358  -3.001  -0.974  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.121  -3.775  -1.392  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        0.471   0.300  -0.504  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        1.029  -3.412  -0.466  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        3.784  -0.760   1.816  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1        2.604  -1.018   1.206  0.00  0.00    -0.225 NA
ATOM     13  C   LIG    1        2.631  -1.725   0.042  0.00  0.00    +0.153 A 
ATOM     14  C   LIG    1        3.832  -2.202  -0.552  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        5.029  -1.904   0.135  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        6.248  -2.342  -0.403  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        6.267  -3.051  -1.595  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.061  -3.304  -2.212  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        3.870  -2.903  -1.719  0.00  0.00    -0.252 NA
ATOM     20  C   LIG    1        5.006  -1.179   1.329  0.00  0.00    +0.043 A 
BRANCH  11  24
ATOM     21  C   LIG    1        2.122   1.197   4.597  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        2.432   0.430   3.422  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        1.691   0.141   2.785  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        3.707   0.030   3.086  0.00  0.00    +0.262 C 
ATOM     25  O   LIG    1        4.712   0.280   3.742  0.00  0.00    -0.269 OA
ENDBRANCH  11  24
ENDBRANCH   1  13
BRANCH   5  26
ATOM     26  C   LIG    1       -3.074   1.645  -0.712  0.00  0.00    -0.041 C 
ATOM     27  C   LIG    1       -4.060   1.569   0.426  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -5.023   2.771   0.439  0.00  0.00    +0.089 C 
ATOM     29  N   LIG    1       -5.555   3.027  -0.906  0.00  0.00    -0.301 NA
ATOM     30  C   LIG    1       -6.579   4.069  -0.879  0.00  0.00    +0.105 C 
ATOM     31  C   LIG    1       -4.476   3.388  -1.838  0.00  0.00    +0.111 C 
ATOM     32  C   LIG    1       -3.277   2.485  -1.742  0.00  0.00    -0.008 C 
ENDBRANCH   5  26
BRANCH   6  33
ATOM     33  C   LIG    1       -0.280   2.694  -0.379  0.00  0.00    +0.372 C 
ATOM     34  F   LIG    1        0.935   2.934   0.200  0.00  0.00    -0.204 F 
ATOM     35  F   LIG    1       -0.241   3.339  -1.579  0.00  0.00    -0.204 F 
ENDBRANCH   6  33
TORSDOF 4