REMARK  Name = BDB023119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.895   0.483   2.392  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -1.638   1.463   2.332  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -1.100  -0.478   1.751  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.537  -1.567   1.406  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.258  -0.028   1.517  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.074  -0.829   0.755  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.284  -0.217   0.659  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.271   0.981   1.355  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.447   1.740   1.362  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.577   1.282   0.677  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.561   0.070  -0.029  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.500   2.906   2.019  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.390  -0.709  -0.034  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.969   1.096   1.908  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        5.718  -0.382  -0.701  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        5.782  -1.298  -1.806  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        7.224  -0.823  -2.006  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        6.798   0.416  -1.212  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.552   0.336   2.522  0.00  0.00    +0.080 S 
ATOM     20  O   LIG    1       -3.780  -0.804   3.386  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -4.035   1.648   2.903  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -5.118  -0.948   0.653  0.00  0.00    +0.149 A 
ATOM     23  C   LIG    1       -4.131   0.019   0.883  0.00  0.00    +0.176 A 
ATOM     24  C   LIG    1       -3.573   0.767  -0.166  0.00  0.00    +0.101 A 
ATOM     25  C   LIG    1       -4.049   0.502  -1.472  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -3.516   1.223  -2.549  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -2.540   2.184  -2.331  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -2.125   2.391  -1.035  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1       -5.043  -0.460  -1.700  0.00  0.00    +0.014 A 
ATOM     30  N   LIG    1       -2.610   1.709   0.027  0.00  0.00    -0.253 NA
ATOM     31  C   LIG    1       -5.583  -1.175  -0.639  0.00  0.00    +0.048 A 
BRANCH  22  33
ATOM     32  C   LIG    1       -5.275  -2.967   1.753  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1       -5.734  -1.614   1.675  0.00  0.00    -0.493 OA
ENDBRANCH  22  33
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 5