REMARK  Name = BDB015459
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.017  -1.726  -0.130  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        1.109  -0.454   0.290  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.031   0.335   0.117  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -1.115  -0.127  -0.492  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -1.103  -1.453  -0.848  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -0.056  -2.270  -0.716  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.184   1.736   0.586  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.867   2.405   1.098  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.763   3.710   1.557  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -1.951   4.348   2.103  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        0.442   4.412   1.560  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1        0.569   5.562   1.973  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        1.627   3.674   1.020  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        2.934   4.397   1.027  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1        1.470   2.419   0.571  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1       -2.178  -2.096  -1.517  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1       -1.858  -3.050  -1.699  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -3.628  -2.172  -0.648  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1       -3.950  -0.860  -0.128  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -3.516  -3.320   0.224  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -4.798  -2.567  -1.964  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1       -4.831  -1.477  -3.031  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -6.188  -2.787  -1.375  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  24
ATOM     24  O   LIG    1        2.107  -2.581  -0.005  0.00  0.00    -0.423 OA
BRANCH  24  27
ATOM     25  C   LIG    1        4.339  -1.659  -1.538  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1        4.318  -1.639  -0.037  0.00  0.00    -0.008 A 
ATOM     27  C   LIG    1        3.193  -2.082   0.676  0.00  0.00    +0.136 A 
ATOM     28  C   LIG    1        3.182  -2.094   2.074  0.00  0.00    +0.066 A 
ATOM     29  C   LIG    1        4.291  -1.618   2.767  0.00  0.00    +0.044 A 
ATOM     30 CL   LIG    1        4.284  -1.605   4.488  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        5.408  -1.148   2.078  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        5.423  -1.160   0.680  0.00  0.00    +0.008 A 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 6