REMARK  Name = BDB015708
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.868  -0.991  -0.509  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.034  -0.009  -0.549  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.314  -0.411  -0.551  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.728  -1.682  -0.459  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.774  -2.629  -0.363  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.570  -2.326  -0.405  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.263  -4.023  -0.248  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.697  -4.867   0.638  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.122  -6.180   0.785  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.455  -7.019   1.768  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.171  -6.713   0.038  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -2.581  -7.867   0.118  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.821  -5.778  -0.916  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.383  -4.519  -1.033  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.205  -0.539  -0.490  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        2.885  -1.128  -0.968  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        2.791  -0.114   1.024  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        4.233  -0.117   0.885  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.158  -0.952   2.020  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.250   1.584   1.231  0.00  0.00    +0.188 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.686   2.491   0.086  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     22  C   LIG    1        2.949   4.646   1.425  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        2.246   3.944   0.274  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       -2.330   0.532  -0.601  0.00  0.00    -0.418 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.967   1.780  -1.036  0.00  0.00    +0.202 A 
ATOM     26  C   LIG    1       -2.017   2.849  -0.146  0.00  0.00    +0.171 A 
ATOM     27  F   LIG    1       -2.376   2.633   1.129  0.00  0.00    -0.201 F 
ATOM     28  C   LIG    1       -1.690   4.147  -0.556  0.00  0.00    -0.011 A 
ATOM     29  C   LIG    1       -1.769   5.285   0.416  0.00  0.00    +0.047 C 
ATOM     30  C   LIG    1       -1.334   4.366  -1.895  0.00  0.00    +0.009 A 
ATOM     31  C   LIG    1       -1.296   3.299  -2.796  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -1.618   2.015  -2.363  0.00  0.00    +0.168 A 
ATOM     33  F   LIG    1       -1.598   1.008  -3.247  0.00  0.00    -0.202 F 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 8