REMARK  Name = BDB013049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.144  -0.079   0.040  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1        2.491  -0.507   1.223  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        1.127  -0.657   1.164  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.750  -1.041   2.417  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.807  -1.138   3.192  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.373  -0.410   0.007  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.984   0.002  -1.072  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.909  -0.798   2.438  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.356   0.150  -1.032  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  F   LIG    1        4.993  -2.231  -0.102  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        5.468  -0.976  -0.141  0.00  0.00    +0.134 A 
ATOM     12  C   LIG    1        4.594   0.107  -0.086  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        5.168   1.369  -0.152  0.00  0.00    +0.122 A 
ATOM     14  N   LIG    1        6.499   1.593  -0.277  0.00  0.00    -0.262 NA
ATOM     15  C   LIG    1        7.304   0.508  -0.320  0.00  0.00    +0.113 A 
ATOM     16  C   LIG    1        6.838  -0.790  -0.256  0.00  0.00    +0.058 A 
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1       -0.993  -0.600   0.048  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.353  -1.258   0.730  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.786  -0.573  -1.171  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.244  -0.548  -0.816  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -3.860   0.583  -0.287  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -3.289   1.904   0.071  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -4.586   2.684   0.287  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -5.651   1.753   0.588  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.204   0.568   0.064  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -5.992  -0.555  -0.086  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.399  -1.698  -0.620  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -4.043  -1.687  -0.976  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1       -3.502  -2.812  -1.466  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4