REMARK  Name = BDB035051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.205  -0.779  -2.216  0.00  0.00    -0.196 N 
ATOM      2  H   LIG    1       -0.881   0.010  -2.773  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.342  -1.288  -1.256  0.00  0.00    +0.192 A 
ATOM      4  C   LIG    1        1.021  -0.908  -1.145  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1        1.479  -1.643  -0.069  0.00  0.00    +0.173 A 
ATOM      6  C   LIG    1        2.780  -1.599   0.418  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        3.670  -0.736  -0.246  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1        3.228   0.033  -1.343  0.00  0.00    +0.052 A 
ATOM      9  O   LIG    1        0.464  -2.400   0.425  0.00  0.00    -0.353 OA
ATOM     10  C   LIG    1        1.902  -0.036  -1.814  0.00  0.00    +0.135 A 
ATOM     11  N   LIG    1       -0.682  -2.176  -0.318  0.00  0.00    -0.060 NA
BRANCH  10  12
ATOM     12  O   LIG    1        1.393   0.682  -2.862  0.00  0.00    -0.494 OA
ATOM     13  C   LIG    1        2.299   1.494  -3.600  0.00  0.00    +0.277 C 
ENDBRANCH  10  12
BRANCH   7  14
ATOM     14  C   LIG    1        5.101  -0.628   0.235  0.00  0.00    +0.178 C 
BRANCH  14  15
ATOM     15  N   LIG    1        5.189   0.113   1.485  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1        5.290  -0.549   2.657  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        5.363   0.427   3.565  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1        5.325   1.706   2.982  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        5.220   1.472   1.632  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   1   3
BRANCH   1  20
ATOM     20  S   LIG    1       -2.865  -0.956  -2.182  0.00  0.00    +0.081 S 
ATOM     21  O   LIG    1       -3.145  -2.369  -2.325  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -3.389  -0.009  -3.150  0.00  0.00    -0.150 OA
BRANCH  20  26
ATOM     23  C   LIG    1       -4.037   0.600   1.963  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1       -4.553  -0.614   1.509  0.00  0.00    +0.064 A 
ATOM     25  C   LIG    1       -4.198  -1.106   0.245  0.00  0.00    +0.151 A 
ATOM     26  C   LIG    1       -3.350  -0.366  -0.583  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1       -2.878   0.880  -0.142  0.00  0.00    +0.151 A 
ATOM     28  C   LIG    1       -3.195   1.346   1.139  0.00  0.00    +0.064 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -4.674   1.493   4.354  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1       -4.383   1.086   3.263  0.00  0.00    -0.069 C 
ENDBRANCH  23  30
BRANCH  25  31
ATOM     31  O   LIG    1       -4.803  -2.255  -0.183  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -4.245  -3.405   0.457  0.00  0.00    +0.277 C 
ENDBRANCH  25  31
BRANCH  27  33
ATOM     33  O   LIG    1       -2.048   1.639  -0.928  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -2.722   2.808  -1.403  0.00  0.00    +0.277 C 
ENDBRANCH  27  33
ENDBRANCH  20  26
ENDBRANCH   1  20
TORSDOF 9