REMARK  Name = BDB059330
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.688   0.137  -0.126  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.460  -0.782  -0.815  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.176  -1.754  -0.922  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.132   1.223   0.235  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.022   0.472   0.459  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.681   0.770   0.201  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -0.720  -0.247   0.149  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1       -1.101  -1.573   0.384  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.440  -1.872   0.641  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -3.398  -0.854   0.672  0.00  0.00    +0.046 A 
BRANCH   5  11
ATOM     11  O   LIG    1       -3.854   1.556   0.469  0.00  0.00    -0.492 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -5.214   1.334   0.840  0.00  0.00    +0.229 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -5.954   2.672   0.862  0.00  0.00    +0.041 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -4.221   4.041   2.170  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -5.654   3.540   2.089  0.00  0.00    -0.000 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  16
ATOM     16  N   LIG    1        2.979  -0.560  -0.745  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1        3.175   0.355  -0.307  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.796  -1.773   0.148  0.00  0.00    +0.074 S 
ATOM     19  O   LIG    1        4.188  -1.182   1.408  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1        2.980  -2.971   0.086  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1        5.238  -2.024  -0.847  0.00  0.00    +0.107 A 
ATOM     22  C   LIG    1        5.142  -2.797  -2.008  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        6.280  -3.011  -2.786  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        7.504  -2.462  -2.399  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.597  -1.700  -1.232  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        6.463  -1.480  -0.449  0.00  0.00    +0.028 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   2  16
TORSDOF 8