REMARK  Name = BDB053761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.941   0.617   0.412  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -1.457   1.736  -0.262  0.00  0.00    -0.278 N 
ATOM      3  C   LIG    1       -0.412   2.633  -0.427  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1        0.729   2.082   0.103  0.00  0.00    +0.084 A 
ATOM      5  N   LIG    1        1.903   2.804   0.079  0.00  0.00    -0.320 N 
ATOM      6  H   LIG    1        2.751   2.426   0.481  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        1.950   4.071  -0.456  0.00  0.00    +0.249 A 
ATOM      8  C   LIG    1        0.664   4.645  -0.968  0.00  0.00    +0.072 A 
ATOM      9  O   LIG    1        2.988   4.723  -0.510  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -0.487   3.949  -0.944  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        0.422   0.818   0.638  0.00  0.00    +0.123 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        1.304  -0.086   1.360  0.00  0.00    +0.254 C 
ATOM     13  N   LIG    1        2.422  -0.567   0.681  0.00  0.00    -0.295 N 
ATOM     14  C   LIG    1        2.630  -0.477  -0.770  0.00  0.00    +0.123 C 
ATOM     15  C   LIG    1        3.378  -1.703  -1.327  0.00  0.00    +0.100 C 
ATOM     16  N   LIG    1        4.669  -1.986  -0.681  0.00  0.00    -0.313 NA
ATOM     17  H   LIG    1        5.425  -1.532  -1.194  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1        4.710  -1.538   0.722  0.00  0.00    +0.100 C 
ATOM     19  C   LIG    1        3.336  -1.451   1.405  0.00  0.00    +0.123 C 
ATOM     20  O   LIG    1        1.078  -0.376   2.532  0.00  0.00    -0.270 OA
ENDBRANCH  11  12
BRANCH   2  21
ATOM     21  C   LIG    1       -2.800   1.867  -0.733  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1       -3.869   1.410   0.050  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1       -5.180   1.529  -0.415  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -5.432   2.093  -1.664  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.373   2.536  -2.453  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -3.059   2.423  -1.993  0.00  0.00    +0.026 A 
ENDBRANCH   2  21
BRANCH   1  27
ATOM     27  O   LIG    1       -1.735  -0.429   0.688  0.00  0.00    -0.438 OA
BRANCH  27  30
ATOM     28  C   LIG    1       -1.938  -2.222   2.877  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -1.382  -2.634   1.544  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1       -1.284  -1.714   0.489  0.00  0.00    +0.136 A 
ATOM     31  C   LIG    1       -0.795  -2.106  -0.759  0.00  0.00    +0.085 A 
ATOM     32  C   LIG    1       -0.351  -3.409  -0.933  0.00  0.00    +0.127 A 
ATOM     33  F   LIG    1        0.142  -3.781  -2.122  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1       -0.403  -4.330   0.106  0.00  0.00    +0.039 A 
ATOM     35  C   LIG    1       -0.923  -3.945   1.343  0.00  0.00    +0.010 A 
ENDBRANCH  27  30
ENDBRANCH   1  27
TORSDOF 4