REMARK  Name = BDB056502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.064   0.013  -0.680  0.00  0.00    -0.285 N 
ATOM      2  H   LIG    1        0.717  -0.143  -1.619  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.147  -0.115   0.351  0.00  0.00    +0.219 C 
ATOM      4  O   LIG    1        0.366   0.042   1.547  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        5.180   0.921  -0.549  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        4.530   0.696  -1.761  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        3.164   0.399  -1.773  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        2.437   0.318  -0.577  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        3.102   0.532   0.631  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1        4.471   0.826   0.645  0.00  0.00    +0.026 A 
BRANCH   5  11
ATOM     11  N   LIG    1        6.585   1.187  -0.518  0.00  0.00    -0.207 N 
ATOM     12  H   LIG    1        6.883   1.765  -1.304  0.00  0.00    +0.175 HD
BRANCH  11  13
ATOM     13  S   LIG    1        7.597  -0.152  -0.474  0.00  0.00    +0.107 S 
ATOM     14  O   LIG    1        8.951   0.342  -0.457  0.00  0.00    -0.138 OA
ATOM     15  O   LIG    1        7.160  -1.148  -1.417  0.00  0.00    -0.138 OA
BRANCH  13  16
ATOM     16  N   LIG    1        7.297  -0.721   1.060  0.00  0.00    -0.191 NA
ATOM     17  H   LIG    1        7.590  -1.695   1.121  0.00  0.00    +0.146 HD
ATOM     18  H   LIG    1        7.796  -0.141   1.733  0.00  0.00    +0.146 HD
ENDBRANCH  13  16
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1       -1.239  -0.436  -0.171  0.00  0.00    +0.118 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.178  -0.844   0.962  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.547  -1.056   0.484  0.00  0.00    -0.293 N 
ATOM     22  C   LIG    1       -4.492   0.013   0.448  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1       -5.789  -0.230  -0.022  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1       -6.752   0.787  -0.076  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -6.425   2.073   0.340  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.140   2.338   0.804  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -6.144  -1.583  -0.478  0.00  0.00    +0.262 A 
ATOM     28  O   LIG    1       -7.258  -1.851  -0.912  0.00  0.00    -0.267 OA
ATOM     29  N   LIG    1       -5.151  -2.519  -0.405  0.00  0.00    -0.274 N 
ATOM     30  H   LIG    1       -5.372  -3.443  -0.744  0.00  0.00    +0.173 HD
ATOM     31  C   LIG    1       -4.181   1.318   0.857  0.00  0.00    +0.027 A 
ATOM     32  C   LIG    1       -3.866  -2.322   0.009  0.00  0.00    +0.330 A 
ATOM     33  O   LIG    1       -3.057  -3.246  -0.067  0.00  0.00    -0.246 OA
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 7