REMARK  Name = BDB047000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.597  -2.031   1.058  0.00  0.00    +0.245 C 
ATOM      2  N   LIG    1        0.647  -1.369   1.087  0.00  0.00    -0.185 N 
ATOM      3  H   LIG    1        0.743  -0.452   0.664  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.789  -3.095   1.631  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2   5
ATOM      5  S   LIG    1        1.977  -1.977   1.878  0.00  0.00    +0.074 S 
ATOM      6  O   LIG    1        2.449  -3.145   1.169  0.00  0.00    -0.150 OA
ATOM      7  O   LIG    1        1.720  -1.973   3.300  0.00  0.00    -0.150 OA
BRANCH   5   8
ATOM      8  C   LIG    1        3.149  -0.672   1.559  0.00  0.00    +0.109 A 
ATOM      9  C   LIG    1        3.373   0.314   2.521  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        4.291   1.335   2.256  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.986   1.378   1.038  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1        4.758   0.374   0.092  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        3.846  -0.655   0.350  0.00  0.00    +0.030 A 
BRANCH  11  14
ATOM     14  N   LIG    1        5.891   2.443   0.852  0.00  0.00    -0.286 N 
ATOM     15  H   LIG    1        5.990   3.081   1.632  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1        6.636   2.725  -0.279  0.00  0.00    +0.214 C 
ATOM     17  O   LIG    1        6.602   2.128  -1.349  0.00  0.00    -0.276 OA
ATOM     18  C   LIG    1        7.523   3.933  -0.100  0.00  0.00    +0.109 C 
ENDBRANCH  11  14
ENDBRANCH   5   8
ENDBRANCH   2   5
BRANCH   1  19
ATOM     19  C   LIG    1       -1.700  -1.345   0.249  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.346  -1.244  -1.246  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -0.817  -3.713  -1.720  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1       -1.676  -2.506  -2.055  0.00  0.00    -0.002 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
BRANCH  19  23
ATOM     23  S   LIG    1       -1.941   0.336   0.969  0.00  0.00    -0.086 S 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.587   0.678   0.475  0.00  0.00    +0.136 A 
ATOM     25  S   LIG    1       -4.415   2.081   0.995  0.00  0.00    -0.061 S 
ATOM     26  C   LIG    1       -5.797   1.599   0.088  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1       -5.517   0.390  -0.553  0.00  0.00    +0.081 A 
ATOM     28  C   LIG    1       -6.509  -0.201  -1.360  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -7.744   0.435  -1.499  0.00  0.00    +0.043 A 
ATOM     30  C   LIG    1       -8.008   1.639  -0.853  0.00  0.00    +0.021 A 
ATOM     31 CL   LIG    1       -8.959  -0.283  -2.487  0.00  0.00    -0.083 Cl
ATOM     32  C   LIG    1       -7.038   2.242  -0.046  0.00  0.00    +0.018 A 
ATOM     33  N   LIG    1       -4.251  -0.122  -0.323  0.00  0.00    -0.233 NA
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 8