REMARK  Name = BDB047994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.272  -3.372   0.722  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -3.213  -1.932   0.468  0.00  0.00    -0.307 N 
ATOM      3  C   LIG    1       -1.922  -1.351   0.250  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1       -1.669  -0.218  -0.520  0.00  0.00    +0.163 A 
ATOM      5  N   LIG    1       -0.399   0.201  -0.774  0.00  0.00    -0.195 NA
ATOM      6  C   LIG    1        0.637  -0.469  -0.256  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1        0.488  -1.553   0.502  0.00  0.00    -0.220 NA
ATOM      8  N   LIG    1       -2.729   0.523  -1.102  0.00  0.00    -0.326 N 
ATOM      9  C   LIG    1       -2.294   1.337  -2.242  0.00  0.00    +0.151 C 
ATOM     10  C   LIG    1       -3.741   1.056  -0.280  0.00  0.00    +0.056 A 
ATOM     11  C   LIG    1       -4.523   0.222   0.528  0.00  0.00    +0.063 A 
ATOM     12  C   LIG    1       -5.528   0.764   1.359  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -5.754   2.136   1.408  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.986   2.978   0.619  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.998   2.443  -0.214  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -0.775  -1.968   0.726  0.00  0.00    +0.144 A 
ATOM     17  C   LIG    1       -4.439  -1.256   0.490  0.00  0.00    +0.261 A 
ATOM     18  O   LIG    1       -5.511  -1.861   0.596  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   6  19
ATOM     19  N   LIG    1        1.889   0.059  -0.557  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1        1.765   0.866  -1.151  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.203  -0.364  -0.328  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        4.253   0.486  -0.706  0.00  0.00    +0.051 A 
ATOM     23  C   LIG    1        5.585   0.126  -0.469  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1        5.902  -1.090   0.134  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        4.870  -1.936   0.525  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        3.537  -1.569   0.303  0.00  0.00    +0.023 A 
BRANCH  23  27
ATOM     27  S   LIG    1        6.891   1.216  -0.958  0.00  0.00    +0.056 S 
ATOM     28  O   LIG    1        8.040   0.422  -1.318  0.00  0.00    -0.153 OA
ATOM     29  O   LIG    1        6.342   2.231  -1.828  0.00  0.00    -0.153 OA
BRANCH  27  30
ATOM     30  N   LIG    1        7.232   2.003   0.492  0.00  0.00    -0.204 NA
ATOM     31  H   LIG    1        7.011   2.995   0.390  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1        6.762   1.588   1.296  0.00  0.00    +0.144 HD
ENDBRANCH  27  30
ENDBRANCH  23  27
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 4