REMARK  Name = BDB014855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.340   5.048   4.313  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.308   4.686   3.275  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -1.997   3.342   3.126  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.968   3.026   2.120  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.058   1.595   1.724  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.462   0.882   0.648  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.835  -0.403   0.681  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.635  -0.516   1.755  0.00  0.00    -0.265 N 
ATOM      9  C   LIG    1       -1.800   0.659   2.413  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -2.645   0.949   3.596  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -2.250   2.326   4.171  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -1.788   5.564   2.586  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.342   1.490  -0.258  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.445   2.495  -0.188  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.121   0.971  -1.317  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        1.759   1.871  -2.186  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        2.537   1.422  -3.263  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        2.697   0.054  -3.504  0.00  0.00    -0.015 A 
ATOM     19  C   LIG    1        2.058  -0.849  -2.648  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        1.281  -0.394  -1.572  0.00  0.00    +0.024 A 
BRANCH  18  21
ATOM     21  C   LIG    1        3.499  -0.404  -4.625  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        4.205  -1.589  -4.669  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1        4.826  -1.623  -5.884  0.00  0.00    -0.274 N 
ATOM     24  C   LIG    1        5.671  -2.674  -6.398  0.00  0.00    +0.172 C 
ATOM     25  N   LIG    1        4.578  -0.539  -6.642  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        3.770   0.199  -5.876  0.00  0.00    +0.142 A 
ENDBRANCH  18  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -2.257  -1.796   2.025  0.00  0.00    +0.166 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.239  -2.912   2.140  0.00  0.00    +0.189 C 
BRANCH  28  29
ATOM     29  S   LIG    1       -2.037  -4.478   2.397  0.00  0.00    -0.032 S 
ATOM     30  O   LIG    1       -1.002  -5.468   2.624  0.00  0.00    -0.175 OA
ATOM     31  O   LIG    1       -3.104  -4.285   3.360  0.00  0.00    -0.175 OA
ATOM     32  C   LIG    1       -2.784  -4.849   0.826  0.00  0.00    +0.194 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 6