REMARK  Name = BDB013035
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.644  -0.058  -0.932  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -0.355  -0.796  -1.627  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.472  -0.111  -2.037  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -2.219  -1.014  -2.736  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.647  -2.195  -2.689  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.685   1.242  -1.761  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.762   1.924  -1.137  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.467  -2.058  -1.990  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.373   1.252  -0.729  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        4.299  -1.757   0.575  0.00  0.00    +0.083 A 
ATOM     11  C   LIG    1        3.078  -2.413   0.744  0.00  0.00    +0.146 A 
ATOM     12  F   LIG    1        3.041  -3.583   1.401  0.00  0.00    -0.203 F 
ATOM     13  C   LIG    1        1.893  -1.868   0.259  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        1.906  -0.635  -0.409  0.00  0.00    -0.010 A 
ATOM     15  C   LIG    1        3.141   0.016  -0.589  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        4.330  -0.537  -0.094  0.00  0.00    +0.028 A 
BRANCH  10  17
ATOM     17  N   LIG    1        5.495  -2.352   1.098  0.00  0.00    -0.218 N 
ATOM     18  H   LIG    1        5.301  -3.127   1.743  0.00  0.00    +0.173 HD
BRANCH  17  20
ATOM     19  C   LIG    1        7.987  -1.771   0.342  0.00  0.00    +0.218 C 
ATOM     20  S   LIG    1        6.651  -2.887  -0.019  0.00  0.00    +0.040 S 
ATOM     21  O   LIG    1        6.204  -2.644  -1.372  0.00  0.00    -0.155 OA
ATOM     22  O   LIG    1        7.051  -4.203   0.429  0.00  0.00    -0.155 OA
ENDBRANCH  17  20
ENDBRANCH  10  17
ENDBRANCH   1  14
BRANCH   6  23
ATOM     23  N   LIG    1       -2.843   1.876  -2.155  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -2.703   2.877  -2.014  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.133   1.510  -1.573  0.00  0.00    +0.140 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.344   2.208  -0.256  0.00  0.00    -0.024 A 
ATOM     27  C   LIG    1       -4.050   1.608   0.964  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -3.585   0.234   1.277  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -3.201   0.429   2.744  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -3.939   1.552   3.275  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -4.255   2.285   2.160  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -4.750   3.571   2.205  0.00  0.00    +0.046 A 
ATOM     33  C   LIG    1       -5.035   4.201   0.995  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1       -4.831   3.530  -0.223  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6