REMARK  Name = BDB014561
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.890  -0.528  -2.334  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.437  -0.651  -1.976  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.826  -1.578  -1.835  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.355   0.497  -2.824  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -1.722  -1.784  -2.043  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -3.123  -1.582  -1.984  0.00  0.00    -0.481 OA
BRANCH   6   8
ATOM      7  C   LIG    1       -5.032  -0.664  -0.949  0.00  0.00    +0.092 A 
ATOM      8  C   LIG    1       -3.654  -0.957  -0.884  0.00  0.00    +0.144 A 
ATOM      9  C   LIG    1       -2.939  -0.610   0.266  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.584   0.022   1.335  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -4.944   0.312   1.265  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -5.668  -0.029   0.124  0.00  0.00    +0.028 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -6.875  -1.964  -1.951  0.00  0.00    +0.157 C 
ATOM     14  N   LIG    1       -5.767  -1.005  -2.147  0.00  0.00    -0.207 N 
BRANCH  14  15
ATOM     15  S   LIG    1       -6.152   0.299  -3.176  0.00  0.00    +0.042 S 
ATOM     16  O   LIG    1       -6.801  -0.252  -4.351  0.00  0.00    -0.155 OA
ATOM     17  O   LIG    1       -6.817   1.329  -2.402  0.00  0.00    -0.155 OA
ATOM     18  C   LIG    1       -4.551   0.895  -3.683  0.00  0.00    +0.218 C 
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1        1.413   0.366  -2.332  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.668   0.274  -1.458  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.133  -1.087  -1.442  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        3.709  -1.134  -0.648  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        2.406   0.732  -0.006  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.573   0.450   0.863  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        3.157   0.511   2.283  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        4.304   0.380   3.261  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        5.624   0.659   2.866  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        6.667   0.561   3.797  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        6.398   0.214   5.120  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.089  -0.043   5.521  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.921   0.999   1.429  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        4.046   0.042   4.598  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        4.667   1.417   0.648  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 10