REMARK  Name = BDB049887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.893  -1.047   0.095  0.00  0.00    -0.285 N 
ATOM      2  C   LIG    1       -0.449  -1.026  -0.343  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.313  -2.111  -0.131  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.657  -2.043  -0.533  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -3.160  -0.922  -1.209  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -2.300   0.148  -1.493  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -0.808  -3.359   0.539  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.663  -3.536   0.209  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.957   0.071  -1.063  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        1.437  -2.301   0.650  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        3.812   1.004   0.760  0.00  0.00    +0.132 A 
ATOM     12  N   LIG    1        3.038  -0.039   0.388  0.00  0.00    -0.217 NA
ATOM     13  C   LIG    1        1.693   0.057   0.507  0.00  0.00    +0.131 A 
ATOM     14  C   LIG    1        1.108   1.199   1.057  0.00  0.00    +0.089 A 
ATOM     15  C   LIG    1        1.911   2.262   1.452  0.00  0.00    +0.127 A 
ATOM     16  C   LIG    1        3.288   2.165   1.295  0.00  0.00    +0.089 A 
BRANCH  11  21
ATOM     17  C   LIG    1        8.652   1.765   0.631  0.00  0.00    +0.129 C 
ATOM     18  N   LIG    1        7.423   1.029   0.460  0.00  0.00    -0.302 N 
ATOM     19  H   LIG    1        7.454   0.045   0.678  0.00  0.00    +0.150 HD
ATOM     20  C   LIG    1        6.215   1.651   0.713  0.00  0.00    +0.305 C 
ATOM     21  N   LIG    1        5.174   0.774   0.562  0.00  0.00    -0.254 N 
ATOM     22  H   LIG    1        5.358  -0.107   0.111  0.00  0.00    +0.158 HD
ATOM     23  O   LIG    1        6.136   2.833   1.018  0.00  0.00    -0.252 OA
ENDBRANCH  11  21
BRANCH  15  24
ATOM     24  O   LIG    1        1.475   3.435   2.005  0.00  0.00    -0.495 OA
ATOM     25  C   LIG    1        0.071   3.595   2.171  0.00  0.00    +0.277 C 
ENDBRANCH  15  24
ENDBRANCH   1  13
BRANCH   5  26
ATOM     26  C   LIG    1       -4.553  -0.933  -1.607  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -5.609  -1.000  -0.724  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -6.740  -0.997  -1.488  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -8.104  -1.032  -1.021  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -6.495  -0.966  -2.810  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -5.162  -0.913  -2.881  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -2.754   1.378  -2.238  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1       -3.073   1.123  -3.537  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -3.844   1.974  -1.680  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 5