REMARK  Name = BDB019137
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.774   0.415  -0.370  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1        0.946   0.774  -1.469  0.00  0.00    +0.096 A 
ATOM      3  N   LIG    1       -0.412   0.796  -1.234  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1       -1.012   1.225  -2.388  0.00  0.00    +0.208 A 
ATOM      5  N   LIG    1       -0.139   1.407  -3.354  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1       -0.983   0.455   0.004  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.215   0.144   1.014  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        1.087   1.130  -2.794  0.00  0.00    +0.155 A 
ATOM      9 CL   LIG    1        2.525   1.248  -3.696  0.00  0.00    -0.060 Cl
ATOM     10  C   LIG    1        1.150   0.135   0.796  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        6.036   0.262  -0.425  0.00  0.00    +0.088 A 
ATOM     12  C   LIG    1        5.390   1.500  -0.379  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        3.995   1.545  -0.355  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        3.246   0.360  -0.391  0.00  0.00    -0.014 A 
ATOM     15  C   LIG    1        3.908  -0.875  -0.454  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        5.304  -0.926  -0.477  0.00  0.00    +0.027 A 
BRANCH  11  18
ATOM     17  C   LIG    1        8.256   0.192   1.250  0.00  0.00    +0.200 C 
ATOM     18  S   LIG    1        7.812   0.203  -0.467  0.00  0.00    -0.006 S 
ATOM     19  O   LIG    1        8.196  -1.075  -1.037  0.00  0.00    -0.170 OA
ATOM     20  O   LIG    1        8.279   1.448  -1.045  0.00  0.00    -0.170 OA
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   6  21
ATOM     21  N   LIG    1       -2.348   0.466   0.175  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.529   0.459   1.178  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.141  -0.598  -0.434  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.597  -0.341  -0.185  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.241  -0.726   0.987  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.711  -1.394   2.201  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.030  -1.743   2.890  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.064  -0.856   2.404  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.582  -0.427   1.195  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.339   0.261   0.268  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.716   0.651  -0.917  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.364   0.353  -1.131  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.795   0.753  -2.278  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 5