REMARK  Name = BDB015625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.231  -1.186   0.584  0.00  0.00    +0.241 A 
ATOM      2  N   LIG    1        0.208   0.070   0.176  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -0.884   0.399  -0.511  0.00  0.00    +0.170 A 
ATOM      4  N   LIG    1       -1.919  -0.413  -0.719  0.00  0.00    -0.175 NA
ATOM      5  C   LIG    1       -1.781  -1.634  -0.213  0.00  0.00    +0.328 A 
ATOM      6  N   LIG    1       -0.743  -2.068   0.496  0.00  0.00    -0.160 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.981   1.778  -1.063  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        0.110   2.568  -1.086  0.00  0.00    +0.100 A 
ATOM      9  N   LIG    1        0.083   3.863  -1.583  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        1.319   4.631  -1.570  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.072   4.444  -2.102  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -1.131   5.589  -2.545  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -2.295   3.578  -2.097  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -3.545   4.173  -2.660  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -2.217   2.332  -1.604  0.00  0.00    +0.021 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     16  N   LIG    1        1.256  -1.582   1.447  0.00  0.00    -0.188 N 
ATOM     17  H   LIG    1        1.177  -2.567   1.687  0.00  0.00    +0.176 HD
BRANCH  16  18
ATOM     18  S   LIG    1        2.810  -1.186   0.994  0.00  0.00    +0.045 S 
ATOM     19  O   LIG    1        2.890  -1.055  -0.444  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        3.657  -2.129   1.696  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.035   0.418   1.767  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.453   0.937   1.548  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        4.515   2.477   3.580  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        4.659   2.359   2.071  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   5  25
ATOM     25  O   LIG    1       -2.887  -2.459  -0.375  0.00  0.00    -0.420 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.650  -3.812  -0.311  0.00  0.00    +0.170 A 
ATOM     27  C   LIG    1       -1.816  -4.439  -1.242  0.00  0.00    +0.166 A 
ATOM     28  F   LIG    1       -1.209  -3.720  -2.198  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -1.605  -5.812  -1.198  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -2.247  -6.573  -0.223  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -3.102  -5.958   0.697  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -3.321  -4.572   0.658  0.00  0.00    -0.005 A 
ATOM     33  C   LIG    1       -4.245  -3.921   1.647  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 8