REMARK  Name = BDB047151
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.535   2.228  -0.381  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1        1.805   1.652  -0.652  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        2.865   2.486  -1.032  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        2.673   3.863  -1.155  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        1.411   4.415  -0.892  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        0.338   3.604  -0.503  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        1.946   0.247  -0.493  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1        2.573  -0.436  -1.649  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1        2.577  -1.965  -1.412  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        3.280  -2.336  -0.163  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        3.226  -3.781   0.050  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        2.673  -1.616   0.980  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        2.650  -0.082   0.773  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   1  15
ATOM     14  C   LIG    1       -1.773   1.562   0.363  0.00  0.00    +0.254 C 
ATOM     15  N   LIG    1       -0.469   1.312  -0.003  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1       -0.115   0.356   0.009  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1       -2.293   2.668   0.439  0.00  0.00    -0.270 OA
BRANCH  14  22
ATOM     18  C   LIG    1       -6.241  -0.694   0.519  0.00  0.00    +0.050 C 
ATOM     19  C   LIG    1       -4.762  -0.733   0.757  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1       -3.960   0.370   0.443  0.00  0.00    +0.144 A 
ATOM     21  F   LIG    1       -4.545   1.431  -0.133  0.00  0.00    -0.204 F 
ATOM     22  C   LIG    1       -2.585   0.364   0.691  0.00  0.00    +0.108 A 
ATOM     23  C   LIG    1       -2.017  -0.773   1.272  0.00  0.00    +0.144 A 
ATOM     24  F   LIG    1       -0.702  -0.809   1.542  0.00  0.00    -0.204 F 
ATOM     25  C   LIG    1       -2.789  -1.893   1.597  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1       -2.170  -3.086   2.258  0.00  0.00    +0.050 C 
ATOM     27  C   LIG    1       -4.162  -1.845   1.351  0.00  0.00    +0.135 A 
ATOM     28  F   LIG    1       -4.923  -2.896   1.692  0.00  0.00    -0.205 F 
ENDBRANCH  14  22
ENDBRANCH   1  15
BRANCH   5  29
ATOM     29  N   LIG    1        1.220   5.866  -1.026  0.00  0.00    +0.056 N 
ATOM     30  O   LIG    1        0.083   6.323  -0.847  0.00  0.00    -0.126 OA
ATOM     31  O   LIG    1        2.213   6.551  -1.313  0.00  0.00    -0.126 OA
ENDBRANCH   5  29
TORSDOF 4