REMARK  Name = BDB059093
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.025   0.321   0.806  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1       -1.109   1.476   0.752  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        0.171   1.164  -0.052  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1        0.882  -0.020   0.469  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.025  -1.079   1.023  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1       -1.436  -0.995   0.526  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.237  -0.150   0.255  0.00  0.00    +0.199 A 
ATOM      8  N   LIG    1        2.902  -1.147   0.910  0.00  0.00    -0.295 N 
ATOM      9  H   LIG    1        2.424  -1.740   1.565  0.00  0.00    +0.172 HD
ATOM     10  C   LIG    1        4.240  -1.367   0.791  0.00  0.00    +0.257 A 
ATOM     11  O   LIG    1        4.801  -2.272   1.399  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        4.965  -0.455  -0.118  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1        6.436  -0.705  -0.234  0.00  0.00    +0.111 C 
ATOM     14  S   LIG    1        7.357   0.646  -1.024  0.00  0.00    -0.155 S 
ATOM     15  C   LIG    1        6.157   1.047  -2.320  0.00  0.00    +0.075 C 
ATOM     16  C   LIG    1        4.827   1.474  -1.708  0.00  0.00    +0.066 C 
ATOM     17  C   LIG    1        4.228   0.491  -0.726  0.00  0.00    +0.055 A 
ATOM     18  N   LIG    1        2.875   0.653  -0.541  0.00  0.00    -0.220 NA
ENDBRANCH   4   7
BRANCH   1  21
ATOM     19  C   LIG    1       -5.705  -0.244   0.519  0.00  0.00    +0.122 A 
ATOM     20  C   LIG    1       -4.320  -0.435   0.415  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1       -3.397   0.511   0.901  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1       -3.932   1.659   1.508  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -5.310   1.863   1.620  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -6.192   0.910   1.125  0.00  0.00    +0.046 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -6.237  -2.295  -0.566  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -6.673  -1.102   0.070  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH   1  21
TORSDOF 3