REMARK  Name = BDB015691
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.978   0.477  -0.301  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.217  -0.458  -0.873  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.084  -0.160  -0.955  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.657   0.952  -0.464  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1        0.150   1.840   0.146  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        1.511   1.649   0.240  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.520   3.049   0.679  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.186   3.532   1.891  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.795   4.655   2.434  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.373   5.105   3.751  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.804   5.351   1.772  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -2.373   6.351   2.200  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.199   4.805   0.449  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -1.588   3.721  -0.046  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        3.342   0.125  -0.201  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        4.014   0.889  -0.244  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.721  -0.898   1.075  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        2.825  -0.618   2.177  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        5.152  -0.765   1.253  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.384  -2.535   0.424  0.00  0.00    +0.188 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.114  -2.819  -0.882  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     22  C   LIG    1        4.553  -4.533  -2.677  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        3.832  -4.239  -1.371  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1       -0.871  -1.143  -1.540  0.00  0.00    -0.420 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -2.154  -0.770  -1.876  0.00  0.00    +0.170 A 
ATOM     26  C   LIG    1       -3.232  -1.359  -1.188  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.527  -1.005  -1.614  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -4.740  -0.102  -2.663  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -3.654   0.459  -3.328  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -2.367   0.115  -2.937  0.00  0.00    +0.166 A 
ATOM     31  F   LIG    1       -1.326   0.638  -3.603  0.00  0.00    -0.202 F 
BRANCH  26  32
ATOM     32  C   LIG    1       -3.021  -2.356  -0.068  0.00  0.00    +0.023 C 
ATOM     33  C   LIG    1       -2.400  -1.898   1.233  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -3.844  -2.289   1.199  0.00  0.00    +0.009 C 
ENDBRANCH  26  32
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 9