REMARK  Name = BDB015702
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.697  -0.881  -0.333  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -1.753  -1.665  -0.563  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -2.923  -1.208  -0.090  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -3.098  -0.050   0.559  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -2.004   0.713   0.748  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.762   0.347   0.275  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.228   1.997   1.453  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.351   2.417   2.387  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.519   3.610   3.077  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.522   3.983   4.069  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.610   4.449   2.864  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -2.803   5.519   3.434  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.598   3.975   1.861  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.404   2.820   1.213  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        0.463  -1.399  -0.952  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        0.266  -2.322  -1.344  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        1.905  -1.433  -0.090  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        2.437  -2.767  -0.267  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        1.722  -0.854   1.222  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.893  -0.311  -1.075  0.00  0.00    +0.189 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.305  -0.176  -0.509  0.00  0.00    +0.027 C 
BRANCH  21  23
ATOM     22  C   LIG    1        4.754   2.131  -1.496  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1        5.232   0.683  -1.387  0.00  0.00    -0.016 C 
ATOM     24  C   LIG    1        6.656   0.649  -0.825  0.00  0.00    +0.007 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  25
ATOM     25  O   LIG    1       -4.079  -1.963  -0.253  0.00  0.00    -0.419 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -3.937  -3.116  -0.983  0.00  0.00    +0.185 A 
ATOM     27  C   LIG    1       -3.771  -4.351  -0.352  0.00  0.00    +0.086 A 
ATOM     28 CL   LIG    1       -3.697  -4.480   1.366  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1       -3.658  -5.515  -1.118  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1       -3.725  -5.449  -2.513  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.908  -4.218  -3.141  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -4.018  -3.062  -2.373  0.00  0.00    +0.167 A 
ATOM     33  F   LIG    1       -4.201  -1.886  -2.992  0.00  0.00    -0.202 F 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8