REMARK  Name = BDB060620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.606   0.321   0.259  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.120  -0.815  -0.339  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -0.800  -2.073  -0.744  0.00  0.00    +0.066 C 
ATOM      4  C   LIG    1        0.405  -2.997  -1.003  0.00  0.00    +0.105 C 
ATOM      5  N   LIG    1        1.588  -2.125  -1.222  0.00  0.00    -0.307 N 
ATOM      6  C   LIG    1        2.876  -2.656  -0.748  0.00  0.00    +0.135 C 
ATOM      7  C   LIG    1        2.858  -4.189  -0.861  0.00  0.00    +0.179 C 
ATOM      8  O   LIG    1        1.825  -4.816  -0.076  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1        0.684  -3.972   0.161  0.00  0.00    +0.182 C 
ATOM     10  C   LIG    1        1.233  -0.896  -0.603  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        2.100   0.060  -0.289  0.00  0.00    -0.210 NA
ATOM     12  C   LIG    1        1.562   1.134   0.310  0.00  0.00    +0.191 A 
ATOM     13  N   LIG    1        0.249   1.299   0.602  0.00  0.00    -0.210 NA
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1       -2.483   1.083  -1.838  0.00  0.00    +0.030 C 
ATOM     15  C   LIG    1       -2.962   0.436  -0.534  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -1.951   0.475   0.557  0.00  0.00    -0.308 N 
ATOM     17  C   LIG    1       -2.268   1.409   1.644  0.00  0.00    +0.135 C 
ATOM     18  C   LIG    1       -3.660   1.066   2.208  0.00  0.00    +0.179 C 
ATOM     19  O   LIG    1       -4.674   0.799   1.226  0.00  0.00    -0.376 OA
ATOM     20  C   LIG    1       -4.266   1.159  -0.095  0.00  0.00    +0.182 C 
ENDBRANCH   1  16
BRANCH  12  21
ATOM     21  C   LIG    1        2.491   2.208   0.690  0.00  0.00    +0.171 A 
ATOM     22  S   LIG    1        1.915   3.690   1.367  0.00  0.00    -0.028 S 
ATOM     23  C   LIG    1        3.544   4.210   1.466  0.00  0.00    +0.179 A 
ATOM     24  N   LIG    1        4.412   3.335   1.016  0.00  0.00    -0.126 NA
ATOM     25  N   LIG    1        3.807   2.179   0.564  0.00  0.00    -0.136 NA
BRANCH  23  26
ATOM     26  N   LIG    1        3.869   5.424   1.951  0.00  0.00    -0.336 N 
ATOM     27  H   LIG    1        3.163   6.149   1.903  0.00  0.00    +0.144 HD
ATOM     28  H   LIG    1        4.799   5.748   1.705  0.00  0.00    +0.144 HD
ENDBRANCH  23  26
ENDBRANCH  12  21
TORSDOF 3