REMARK  Name = BDB049072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.439   0.978  -1.139  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        1.841   0.036  -1.989  0.00  0.00    -0.038 A 
ATOM      3  C   LIG    1        2.624  -0.675  -3.055  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1        0.474  -0.236  -1.822  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -0.297   0.433  -0.854  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1        0.327   1.387  -0.036  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        1.687   1.664  -0.180  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  12
ATOM      8  N   LIG    1        6.783  -1.363   0.593  0.00  0.00    -0.300 NA
ATOM      9  C   LIG    1        7.046  -0.551  -0.609  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1        6.208   0.736  -0.728  0.00  0.00    +0.123 C 
ATOM     11  N   LIG    1        4.776   0.481  -0.578  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        3.876   1.301  -1.244  0.00  0.00    +0.247 C 
ATOM     13  O   LIG    1        4.198   2.279  -1.912  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        4.404  -0.631   0.307  0.00  0.00    +0.123 C 
ATOM     15  C   LIG    1        5.537  -0.998   1.284  0.00  0.00    +0.103 C 
BRANCH   8  17
ATOM     16  C   LIG    1        8.447  -0.231   2.140  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1        7.934  -1.511   1.486  0.00  0.00    +0.081 C 
ENDBRANCH   8  17
ENDBRANCH   1  12
BRANCH   5  18
ATOM     18  C   LIG    1       -1.774   0.107  -0.728  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1       -2.761   1.301  -0.818  0.00  0.00    +0.079 C 
ATOM     20  C   LIG    1       -3.959   0.852   0.069  0.00  0.00    +0.104 C 
ATOM     21  N   LIG    1       -3.591  -0.461   0.617  0.00  0.00    -0.296 NA
ATOM     22  C   LIG    1       -2.130  -0.500   0.636  0.00  0.00    +0.094 C 
BRANCH  19  23
ATOM     23  N   LIG    1       -3.161   1.822  -2.142  0.00  0.00    -0.304 NA
ATOM     24  C   LIG    1       -2.084   2.571  -2.791  0.00  0.00    +0.104 C 
ATOM     25  C   LIG    1       -3.677   0.800  -3.052  0.00  0.00    +0.104 C 
ENDBRANCH  19  23
BRANCH  21  26
ATOM     26  C   LIG    1       -4.193  -0.772   1.913  0.00  0.00    +0.122 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.681  -1.041   1.825  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -6.106  -2.225   1.198  0.00  0.00    +0.128 A 
ATOM     29  F   LIG    1       -5.201  -3.098   0.729  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -7.454  -2.541   1.060  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -8.417  -1.671   1.555  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -8.023  -0.494   2.194  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -6.662  -0.166   2.343  0.00  0.00    -0.043 A 
ATOM     34  C   LIG    1       -6.306   1.109   3.058  0.00  0.00    +0.044 C 
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH   5  18
TORSDOF 6