REMARK  Name = BDB050139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.459   1.568  -0.079  0.00  0.00    +0.140 A 
ATOM      2  N   LIG    1       -0.335   0.909  -0.035  0.00  0.00    -0.150 NA
ATOM      3  N   LIG    1        0.405   0.959  -1.184  0.00  0.00    -0.209 N 
ATOM      4  C   LIG    1        0.086   1.656  -2.338  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1        1.003   1.517  -3.267  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        1.951   0.706  -2.699  0.00  0.00    +0.143 A 
ATOM      7  C   LIG    1       -1.118   2.390  -2.341  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        1.607   0.315  -1.413  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -1.898   2.374  -1.255  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.334  -0.552  -0.490  0.00  0.00    +0.095 A 
ATOM     11  N   LIG    1        3.598  -0.804  -0.884  0.00  0.00    -0.219 NA
ATOM     12  C   LIG    1        4.317  -1.592  -0.076  0.00  0.00    +0.207 A 
ATOM     13  N   LIG    1        3.912  -2.175   1.062  0.00  0.00    -0.229 NA
ATOM     14  C   LIG    1        2.642  -1.905   1.405  0.00  0.00    +0.116 A 
ATOM     15  C   LIG    1        1.804  -1.100   0.662  0.00  0.00    +0.050 A 
BRANCH  12  16
ATOM     16  S   LIG    1        5.976  -1.982  -0.591  0.00  0.00    +0.022 S 
ATOM     17  O   LIG    1        6.424  -0.970  -1.833  0.00  0.00    -0.154 OA
ATOM     18  C   LIG    1        6.815  -1.412   0.902  0.00  0.00    +0.115 C 
ENDBRANCH  12  16
ENDBRANCH   8  10
BRANCH   1  19
ATOM     19  N   LIG    1       -2.228   1.527   1.065  0.00  0.00    -0.323 N 
ATOM     20  H   LIG    1       -1.582   1.253   1.814  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  CA  LIG    1       -3.363   0.580   1.194  0.00  0.00    +0.097 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -5.668  -0.046   0.297  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -4.375   0.719   0.051  0.00  0.00    +0.021 C 
ENDBRANCH  21  23
BRANCH  21  24
ATOM     24  C   LIG    1       -2.824  -0.857   1.366  0.00  0.00    +0.178 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -1.937  -0.916   2.490  0.00  0.00    -0.393 OA
ATOM     26  H   LIG    1       -2.478  -0.826   3.294  0.00  0.00    +0.209 HD
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7