REMARK  Name = BDB030123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.422  -0.301  -0.605  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -0.476  -1.319  -0.507  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        0.766   0.364  -0.357  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        0.782   1.567  -0.100  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.026  -0.424  -0.400  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        2.044  -1.800  -0.621  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        0.896  -2.473  -0.803  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        3.254  -2.492  -0.651  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        3.277  -4.193  -0.930  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        4.462  -1.819  -0.459  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        4.470  -0.438  -0.232  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        3.244   0.249  -0.206  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        5.706   0.303  -0.029  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        5.748   1.677   0.044  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        7.011   1.986   0.235  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        7.788   0.868   0.289  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1        9.214   0.848   0.489  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        6.975  -0.219   0.122  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -1.700   0.455  -0.199  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -1.461   1.433   0.035  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.503  -0.232   1.150  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1       -2.121  -1.629   1.217  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -2.307   0.668   2.265  0.00  0.00    -0.152 OA
BRANCH  21  27
ATOM     24  C   LIG    1       -6.883  -0.005  -0.193  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1       -6.351   0.942   0.692  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1       -5.011   0.889   1.095  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1       -4.191  -0.136   0.625  0.00  0.00    +0.107 A 
ATOM     28  C   LIG    1       -4.707  -1.123  -0.213  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1       -6.047  -1.056  -0.607  0.00  0.00    +0.025 A 
BRANCH  24  31
ATOM     30  C   LIG    1       -9.039   1.159  -0.456  0.00  0.00    +0.125 C 
ATOM     31  N   LIG    1       -8.229  -0.040  -0.572  0.00  0.00    -0.347 N 
ATOM     32  H   LIG    1       -8.361  -0.520  -1.459  0.00  0.00    +0.146 HD
ENDBRANCH  24  31
ENDBRANCH  21  27
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6