REMARK  Name = BDB015755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.018   0.300  -0.704  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.812  -0.617  -0.201  0.00  0.00    -0.180 NA
ATOM      3  C   LIG    1       -1.389  -0.327   0.977  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.236   0.815   1.658  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.396   1.720   1.124  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.253   1.504  -0.076  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.252   2.987   1.885  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        0.951   3.585   1.996  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        1.132   4.765   2.704  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        2.466   5.340   2.768  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        0.086   5.407   3.363  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1        0.186   6.454   3.997  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.237   4.740   3.272  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -1.374   3.603   2.578  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        0.602  -0.025  -1.932  0.00  0.00    -0.329 N 
ATOM     16  H   LIG    1        0.215  -0.947  -2.142  0.00  0.00    +0.147 HD
BRANCH  15  17
ATOM     17  C   LIG    1        2.064  -0.062  -1.907  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.609  -0.517  -3.264  0.00  0.00    +0.018 C 
BRANCH  18  20
ATOM     19  C   LIG    1        2.990  -2.432  -4.858  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1        2.361  -2.002  -3.542  0.00  0.00    -0.002 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  21
ATOM     21  O   LIG    1       -2.287  -1.225   1.541  0.00  0.00    -0.420 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.197  -2.525   1.103  0.00  0.00    +0.170 A 
ATOM     23  C   LIG    1       -1.074  -3.300   1.402  0.00  0.00    +0.166 A 
ATOM     24  F   LIG    1       -0.053  -2.777   2.097  0.00  0.00    -0.202 F 
ATOM     25  C   LIG    1       -0.998  -4.628   0.994  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1       -2.060  -5.192   0.291  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -3.197  -4.429   0.006  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -3.284  -3.090   0.418  0.00  0.00    -0.005 A 
ATOM     29  C   LIG    1       -4.506  -2.277   0.106  0.00  0.00    +0.047 C 
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7