REMARK  Name = BDB053780
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.787   0.794   0.815  0.00  0.00    +0.041 A 
ATOM      2  N   LIG    1       -1.058   2.068   0.325  0.00  0.00    -0.310 N 
ATOM      3  C   LIG    1        0.125   2.806   0.301  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1        1.136   2.010   0.841  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1        2.426   2.549   0.976  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        2.608   3.852   0.550  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.633   4.627   0.038  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1        0.381   4.126  -0.071  0.00  0.00    +0.137 A 
ATOM      9  C   LIG    1        0.559   0.750   1.167  0.00  0.00    +0.066 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.222  -0.401   1.769  0.00  0.00    +0.249 C 
ATOM     11  N   LIG    1        2.208  -1.032   1.019  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.901  -2.178   1.606  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        4.250  -2.443   0.917  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        4.170  -2.656  -0.539  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        5.002  -2.260  -0.974  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        2.960  -2.060  -1.128  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        2.448  -0.798  -0.410  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        0.904  -0.778   2.894  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.327   2.563  -0.086  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -3.437   2.422   0.754  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.678   2.919   0.354  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.811   3.558  -0.879  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.703   3.705  -1.714  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.458   3.213  -1.320  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  C   LIG    1       -1.773  -0.351   0.846  0.00  0.00    +0.090 C 
BRANCH  25  28
ATOM     26  C   LIG    1       -1.323  -3.274   1.571  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -1.253  -2.779   0.154  0.00  0.00    -0.012 A 
ATOM     28  C   LIG    1       -1.465  -1.425  -0.189  0.00  0.00    -0.036 A 
ATOM     29  C   LIG    1       -1.428  -1.057  -1.552  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -1.146  -1.991  -2.550  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -0.905  -3.314  -2.204  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1       -0.963  -3.695  -0.868  0.00  0.00    +0.127 A 
ATOM     33  F   LIG    1       -0.738  -4.984  -0.569  0.00  0.00    -0.205 F 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4