REMARK  Name = BDB015393
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.183   1.543   1.032  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1        0.319   0.438   0.951  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1        0.256  -0.279   2.028  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1        1.089   0.409   3.044  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1        1.888   1.488   2.321  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1       -0.344   0.199  -0.218  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1       -1.386   1.169  -0.622  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1       -2.744   0.839   0.040  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1       -3.215  -0.537  -0.274  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1       -2.157  -1.482   0.173  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -0.793  -1.183  -0.485  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1       -4.465  -0.809   0.474  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1       -5.136  -2.112  -0.049  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1       -5.894  -1.266  -1.087  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1       -5.659  -0.050  -0.173  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  17
ATOM     16  O   LIG    1        1.138   2.590  -1.333  0.00  0.00    -0.150 OA
ATOM     17  S   LIG    1        2.025   2.268  -0.235  0.00  0.00    +0.077 S 
ATOM     18  O   LIG    1        2.870   3.302   0.333  0.00  0.00    -0.150 OA
BRANCH  17  19
ATOM     19  C   LIG    1        3.111   0.965  -0.794  0.00  0.00    +0.109 A 
ATOM     20  C   LIG    1        4.418   0.884  -0.299  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1        5.281  -0.125  -0.756  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1        4.821  -1.021  -1.734  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        3.524  -0.919  -2.243  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        2.669   0.079  -1.779  0.00  0.00    +0.029 A 
BRANCH  21  25
ATOM     25  C   LIG    1        6.694  -0.215  -0.231  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1        7.226  -1.464  -0.334  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        7.548   0.614  -0.892  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        6.788   0.120   1.086  0.00  0.00    -0.166 F 
ENDBRANCH  21  25
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5