REMARK  Name = BDB057639
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.450   0.256  -2.272  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -1.889  -0.672  -1.316  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -3.214  -0.653  -0.857  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -4.085   0.297  -1.416  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1       -5.418   0.332  -1.008  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -6.058   1.009  -1.401  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -5.956  -0.525  -0.096  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1       -5.049  -1.559   0.499  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -5.771  -2.476   1.450  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1       -4.866  -4.001   1.836  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1       -3.244  -3.251   2.085  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -2.765  -2.568   0.806  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1       -7.136  -0.436   0.229  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -3.658   1.208  -2.387  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -3.737  -1.595   0.168  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -2.335   1.184  -2.821  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  21
ATOM     17  N   LIG    1        3.385   0.850  -0.151  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1        2.078   1.505   0.054  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1        0.850   0.716  -0.448  0.00  0.00    +0.123 C 
ATOM     20  N   LIG    1        0.985   0.297  -1.849  0.00  0.00    -0.295 N 
ATOM     21  C   LIG    1       -0.055   0.226  -2.767  0.00  0.00    +0.247 C 
ATOM     22  O   LIG    1        0.117   0.132  -3.980  0.00  0.00    -0.270 OA
ATOM     23  C   LIG    1        2.355   0.172  -2.348  0.00  0.00    +0.123 C 
ATOM     24  C   LIG    1        3.339  -0.172  -1.219  0.00  0.00    +0.103 C 
BRANCH  17  25
ATOM     25  C   LIG    1        3.972   0.299   1.075  0.00  0.00    +0.084 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.477   1.368   2.057  0.00  0.00    +0.015 C 
BRANCH  26  28
ATOM     27  C   LIG    1        6.079   3.269   2.475  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1        5.547   2.279   1.450  0.00  0.00    -0.002 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  17  25
ENDBRANCH   1  21
TORSDOF 4