REMARK  Name = BDB058803
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.931  -0.661  -2.039  0.00  0.00    +0.056 A 
ATOM      2  C   LIG    1       -0.440  -1.363  -0.911  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -0.904  -0.990   0.382  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.388  -1.693   1.497  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        0.543  -2.723   1.364  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.988  -3.086   0.105  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.863   0.064   0.520  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -2.299   0.742  -0.628  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        0.502  -2.416  -1.016  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -1.841   0.383  -1.891  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   7  11
ATOM     11  N   LIG    1       -2.319   0.439   1.811  0.00  0.00    -0.316 N 
ATOM     12  C   LIG    1       -3.752   0.906   1.948  0.00  0.00    +0.182 C 
ATOM     13  C   LIG    1       -3.652   2.333   2.483  0.00  0.00    +0.035 C 
ATOM     14  C   LIG    1       -2.355   2.318   3.273  0.00  0.00    +0.021 C 
ATOM     15  C   LIG    1       -1.435   1.486   2.389  0.00  0.00    +0.106 C 
BRANCH  12  16
ATOM     16  C   LIG    1       -4.473  -0.010   2.953  0.00  0.00    +0.325 C 
ATOM     17  O   LIG    1       -5.578   0.196   3.430  0.00  0.00    -0.249 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -3.723  -1.103   3.254  0.00  0.00    -0.479 OA
ATOM     19  H   LIG    1       -2.889  -0.997   2.732  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  12  16
ENDBRANCH   7  11
BRANCH   1  20
ATOM     20  N   LIG    1       -0.471  -0.952  -3.361  0.00  0.00    -0.216 N 
ATOM     21  H   LIG    1       -0.309  -1.923  -3.617  0.00  0.00    +0.174 HD
BRANCH  20  22
ATOM     22  S   LIG    1        0.583   0.120  -4.128  0.00  0.00    +0.072 S 
ATOM     23  O   LIG    1        1.051  -0.564  -5.315  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1       -0.035   1.426  -4.212  0.00  0.00    -0.150 OA
BRANCH  22  28
ATOM     25  C   LIG    1        4.112   0.427  -1.236  0.00  0.00    +0.120 A 
ATOM     26  C   LIG    1        4.099  -0.551  -2.237  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        3.027  -0.648  -3.126  0.00  0.00    +0.032 A 
ATOM     28  C   LIG    1        1.953   0.235  -3.001  0.00  0.00    +0.109 A 
ATOM     29  C   LIG    1        1.966   1.233  -2.022  0.00  0.00    +0.032 A 
ATOM     30  C   LIG    1        3.044   1.322  -1.135  0.00  0.00    +0.047 A 
BRANCH  25  32
ATOM     31  C   LIG    1        5.288   1.379   0.598  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        5.219   0.403  -0.434  0.00  0.00    -0.495 OA
ENDBRANCH  25  32
ENDBRANCH  22  28
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7