REMARK  Name = BDB033479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.266  -2.657  -0.736  0.00  0.00    +0.091 S 
ATOM      2  O   LIG    1       -0.178  -2.731  -2.178  0.00  0.00    -0.148 OA
ATOM      3  O   LIG    1       -1.234  -3.429   0.015  0.00  0.00    -0.148 OA
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1       -0.906   0.892   0.603  0.00  0.00    +0.112 A 
ATOM      5  N   LIG    1       -1.869   0.865  -0.385  0.00  0.00    -0.323 N 
ATOM      6  C   LIG    1       -1.764  -0.327  -1.050  0.00  0.00    +0.137 A 
ATOM      7  C   LIG    1       -0.760  -1.013  -0.404  0.00  0.00    +0.215 A 
ATOM      8  N   LIG    1       -0.228  -0.243   0.623  0.00  0.00    -0.213 NA
BRANCH   4  10
ATOM      9  C   LIG    1        0.184   3.122   0.921  0.00  0.00    +0.012 C 
ATOM     10  C   LIG    1       -0.684   2.039   1.540  0.00  0.00    +0.071 C 
ENDBRANCH   4  10
BRANCH   5  11
ATOM     11  C   LIG    1       -2.858   1.886  -0.688  0.00  0.00    +0.218 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -3.935   1.986   0.371  0.00  0.00    +0.233 C 
ATOM     13  N   LIG    1       -4.641   0.820   0.602  0.00  0.00    -0.311 N 
ATOM     14  H   LIG    1       -4.351  -0.042   0.151  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1       -4.170   3.047   0.945  0.00  0.00    -0.274 OA
BRANCH  13  16
ATOM     16  C   LIG    1       -5.646   0.731   1.613  0.00  0.00    +0.073 C 
ATOM     17  C   LIG    1       -6.186  -0.606   2.042  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -5.310   0.181   2.971  0.00  0.00    +0.024 C 
ENDBRANCH  13  16
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   1  19
ATOM     19  N   LIG    1        1.246  -2.899  -0.009  0.00  0.00    -0.213 N 
ATOM     20  H   LIG    1        1.192  -2.615   0.968  0.00  0.00    +0.174 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.387  -2.407  -0.709  0.00  0.00    +0.072 A 
ATOM     22  C   LIG    1        2.981  -1.174  -0.414  0.00  0.00    +0.071 A 
ATOM     23  C   LIG    1        4.128  -0.711  -1.075  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        4.460   0.546  -0.479  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1        3.517   0.823   0.487  0.00  0.00    +0.102 A 
ATOM     26  C   LIG    1        4.692  -1.503  -2.113  0.00  0.00    -0.040 A 
ATOM     27  C   LIG    1        5.917  -1.097  -2.889  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1        4.060  -2.722  -2.433  0.00  0.00    +0.006 A 
ATOM     29  N   LIG    1        2.614  -0.203   0.494  0.00  0.00    -0.358 N 
ATOM     30  H   LIG    1        1.754  -0.225   1.034  0.00  0.00    +0.165 HD
ATOM     31  C   LIG    1        2.932  -3.162  -1.746  0.00  0.00    +0.027 A 
BRANCH  24  32
ATOM     32  C   LIG    1        5.556   1.407  -0.800  0.00  0.00    +0.101 C 
ATOM     33  N   LIG    1        6.442   2.110  -1.059  0.00  0.00    -0.191 NA
ENDBRANCH  24  32
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 8