REMARK  Name = BDB028703
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.076  -1.063   1.154  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1        1.214  -0.495   0.921  0.00  0.00    +0.084 A 
ATOM      3  C   LIG    1        2.078  -1.168   1.776  0.00  0.00    +0.140 A 
ATOM      4  C   LIG    1        3.444  -0.920   1.868  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        3.961   0.088   1.039  0.00  0.00    -0.032 A 
ATOM      6  C   LIG    1        3.109   0.787   0.160  0.00  0.00    +0.050 A 
ATOM      7  O   LIG    1        1.400  -2.096   2.506  0.00  0.00    -0.461 OA
ATOM      8  C   LIG    1        1.732   0.512   0.078  0.00  0.00    +0.133 A 
ATOM      9  C   LIG    1        0.098  -2.025   2.124  0.00  0.00    +0.220 A 
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.239  -0.669   0.479  0.00  0.00    -0.212 N 
ATOM     11  H   LIG    1       -1.158   0.184  -0.087  0.00  0.00    +0.174 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.779  -0.949   1.098  0.00  0.00    +0.076 S 
ATOM     13  O   LIG    1       -2.961  -2.388   1.133  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -2.943  -0.158   2.300  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.570   1.065  -0.584  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1       -3.846  -0.242  -0.149  0.00  0.00    +0.155 A 
ATOM     17  C   LIG    1       -4.951  -0.942  -0.684  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -5.732  -0.301  -1.668  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -5.434   0.988  -2.110  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -4.348   1.669  -1.574  0.00  0.00    +0.047 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -2.862   2.819   0.741  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.472   1.742  -0.117  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  C   LIG    1       -5.349  -2.337  -0.281  0.00  0.00    +0.193 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -5.616  -2.380   1.110  0.00  0.00    -0.390 OA
ATOM     25  H   LIG    1       -4.841  -2.824   1.511  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  26
ATOM     26  O   LIG    1        0.845   1.154  -0.746  0.00  0.00    -0.494 OA
ATOM     27  C   LIG    1        1.389   2.049  -1.710  0.00  0.00    +0.277 C 
ENDBRANCH   8  26
BRANCH   5  28
ATOM     28  C   LIG    1        5.439   0.416   1.080  0.00  0.00    +0.131 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.170  -0.058  -0.126  0.00  0.00    +0.200 A 
ATOM     30  O   LIG    1        6.705  -1.318  -0.068  0.00  0.00    -0.448 OA
ATOM     31  C   LIG    1        7.295  -1.480  -1.284  0.00  0.00    +0.217 A 
ATOM     32  C   LIG    1        7.101  -0.332  -2.008  0.00  0.00    +0.152 A 
ATOM     33  N   LIG    1        6.387   0.574  -1.265  0.00  0.00    -0.222 NA
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 9