REMARK  Name = BDB015572
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.984  -0.716   0.168  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.369  -1.876  -0.072  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.955  -1.864   0.118  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.673  -0.799   0.511  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.001   0.341   0.759  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.367   0.421   0.625  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.834   1.477   1.226  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1       -1.541   2.738   0.853  0.00  0.00    +0.099 A 
ATOM      9  N   LIG    1       -2.303   3.827   1.251  0.00  0.00    -0.316 N 
ATOM     10  C   LIG    1       -1.904   5.152   0.795  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.444   3.699   2.053  0.00  0.00    +0.269 A 
ATOM     12  O   LIG    1       -4.130   4.651   2.416  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1       -3.788   2.294   2.447  0.00  0.00    +0.106 A 
ATOM     14 CL   LIG    1       -5.187   2.030   3.415  0.00  0.00    -0.078 Cl
ATOM     15  C   LIG    1       -3.020   1.274   2.045  0.00  0.00    +0.037 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.388  -0.829  -0.009  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        2.553  -1.801  -0.286  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.046   0.193  -1.186  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        2.840  -0.452  -2.463  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.608   1.550  -0.939  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.782   0.082  -0.761  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.637   0.910  -1.715  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        7.789  -0.429  -1.429  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        7.117   0.932  -1.330  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  25
ATOM     25  O   LIG    1       -1.593  -3.074  -0.135  0.00  0.00    -0.422 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.934  -3.121   0.177  0.00  0.00    +0.153 A 
ATOM     27  C   LIG    1       -3.355  -3.364   1.492  0.00  0.00    +0.084 A 
ATOM     28 CL   LIG    1       -2.227  -3.608   2.777  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1       -4.717  -3.421   1.788  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1       -5.657  -3.248   0.772  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -5.239  -3.030  -0.542  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -3.874  -2.980  -0.859  0.00  0.00    -0.007 A 
ATOM     33  C   LIG    1       -3.440  -2.732  -2.275  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8