REMARK  Name = BDB015800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.861   0.542  -0.834  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.056   1.558  -1.151  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.222   1.403  -0.789  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.740   0.307  -0.207  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.886  -0.695   0.077  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.450  -0.631  -0.254  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.489  -1.887   0.723  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.815  -2.558   1.679  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.343  -3.672   2.316  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.540  -4.333   3.333  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.611  -4.169   2.024  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.124  -5.155   2.545  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.374  -3.416   0.996  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.833  -2.346   0.401  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.184   0.771  -1.295  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        2.166   1.700  -1.724  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.390   0.759  -0.109  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        3.168  -0.365   0.778  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        3.489   2.109   0.397  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.864   0.394  -1.102  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        5.079   1.456  -2.179  0.00  0.00    +0.033 C 
BRANCH  20  23
ATOM     22  C   LIG    1        7.338  -0.226  -0.869  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        6.079   0.258  -0.166  0.00  0.00    +0.024 C 
ENDBRANCH  20  23
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1       -2.064   2.450  -1.145  0.00  0.00    -0.420 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -3.279   2.489  -0.501  0.00  0.00    +0.173 A 
ATOM     26  C   LIG    1       -3.345   2.783   0.863  0.00  0.00    +0.201 A 
ATOM     27  F   LIG    1       -2.223   3.013   1.561  0.00  0.00    -0.199 F 
ATOM     28  C   LIG    1       -4.578   2.846   1.497  0.00  0.00    +0.162 A 
ATOM     29  F   LIG    1       -4.650   3.122   2.806  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -5.752   2.631   0.782  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.691   2.359  -0.587  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1       -4.454   2.296  -1.247  0.00  0.00    -0.005 A 
ATOM     33  C   LIG    1       -4.394   1.997  -2.718  0.00  0.00    +0.047 C 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7