REMARK  Name = BDB015472
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.647   0.641   0.337  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.474  -0.342  -0.547  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.202  -0.602  -0.864  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.867   0.063  -0.397  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.638   1.039   0.503  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.634   1.364   0.920  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.852   1.700   1.044  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.864   3.026   1.276  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.983   3.682   1.766  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -2.901   5.118   1.988  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.181   3.023   2.040  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -5.189   3.575   2.475  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -4.193   1.551   1.765  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -5.470   0.822   2.031  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -3.082   0.963   1.294  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.995   0.850   0.709  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        3.249   1.796   0.986  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.602  -0.245   1.827  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        4.784   0.390   2.371  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.528  -0.641   2.714  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.108  -1.651   0.835  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.899  -1.322  -0.426  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        7.109  -0.666  -1.442  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.310  -0.799  -0.154  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  25
ATOM     25  O   LIG    1        0.024  -1.601  -1.813  0.00  0.00    -0.420 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -1.216  -2.195  -1.829  0.00  0.00    +0.170 A 
ATOM     27  C   LIG    1       -1.642  -2.977  -0.752  0.00  0.00    +0.166 A 
ATOM     28  F   LIG    1       -0.853  -3.139   0.321  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -2.882  -3.604  -0.775  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -3.703  -3.460  -1.892  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -3.274  -2.697  -2.983  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -2.021  -2.066  -2.970  0.00  0.00    -0.005 A 
ATOM     33  C   LIG    1       -1.573  -1.244  -4.143  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8