REMARK  Name = BDB054124
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.044   0.840   1.347  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.025   0.986   0.482  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.203   0.904  -0.512  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.917   0.494   2.518  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.371   0.651   0.897  0.00  0.00    +0.092 C 
ATOM      6  C   LIG    1        2.460   1.173  -0.044  0.00  0.00    +0.130 C 
ATOM      7  N   LIG    1        3.571   0.251   0.135  0.00  0.00    -0.296 N 
ATOM      8  C   LIG    1        4.764   0.455  -0.531  0.00  0.00    +0.247 C 
ATOM      9  O   LIG    1        4.947   1.390  -1.306  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        3.154  -0.935   0.871  0.00  0.00    +0.110 C 
ATOM     11  C   LIG    1        1.634  -0.857   0.893  0.00  0.00    +0.043 C 
BRANCH   8  12
ATOM     12  C   LIG    1        5.866  -0.509  -0.315  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        6.347  -0.778   0.971  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        7.397  -1.681   1.141  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        7.972  -2.301   0.030  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        7.507  -2.013  -1.254  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        6.458  -1.111  -1.430  0.00  0.00    +0.013 A 
ENDBRANCH   8  12
ENDBRANCH   2   5
BRANCH   1  18
ATOM     18  C   LIG    1       -2.418   1.021   0.659  0.00  0.00    +0.162 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.507   1.497   1.654  0.00  0.00    +0.018 C 
ATOM     20  C   LIG    1       -3.187   2.883   2.249  0.00  0.00    +0.006 C 
ATOM     21  C   LIG    1       -3.338   4.019   1.238  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1       -4.720   4.017   0.591  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -5.070   2.658  -0.007  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -4.912   1.536   1.018  0.00  0.00    +0.006 C 
ENDBRANCH  18  19
BRANCH  18  26
ATOM     25  C   LIG    1       -2.202  -0.721  -1.088  0.00  0.00    +0.230 C 
ATOM     26  N   LIG    1       -2.747  -0.296   0.106  0.00  0.00    -0.302 N 
ATOM     27  H   LIG    1       -3.081  -0.998   0.755  0.00  0.00    +0.150 HD
ATOM     28  O   LIG    1       -1.444  -0.012  -1.753  0.00  0.00    -0.274 OA
BRANCH  25  29
ATOM     29  C   LIG    1       -2.552  -2.175  -1.475  0.00  0.00    +0.137 C 
ATOM     30  C   LIG    1       -1.426  -3.074  -0.967  0.00  0.00    +0.034 C 
BRANCH  29  32
ATOM     31  C   LIG    1       -3.038  -3.553  -3.446  0.00  0.00    +0.101 C 
ATOM     32  N   LIG    1       -2.767  -2.223  -2.931  0.00  0.00    -0.309 NA
ATOM     33  H   LIG    1       -1.955  -1.815  -3.400  0.00  0.00    +0.122 HD
ENDBRANCH  29  32
ENDBRANCH  25  29
ENDBRANCH  18  26
ENDBRANCH   1  18
TORSDOF 7