REMARK  Name = BDB033615
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.913   0.435  -2.047  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.352   0.066  -1.523  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.137   1.178  -1.742  0.00  0.00    +0.176 A 
ATOM      4  C   LIG    1        2.471   1.278  -1.380  0.00  0.00    +0.096 A 
ATOM      5  C   LIG    1        3.012   0.148  -0.749  0.00  0.00    +0.141 A 
ATOM      6  C   LIG    1        2.275  -1.038  -0.518  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1        2.989  -2.211   0.131  0.00  0.00    +0.043 C 
ATOM      8  C   LIG    1        2.349  -3.588  -0.043  0.00  0.00    +0.008 C 
ATOM      9  C   LIG    1        1.081  -3.774   0.787  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1        0.138  -2.584   0.709  0.00  0.00    +0.229 C 
ATOM     11  O   LIG    1        0.064  -2.113  -0.637  0.00  0.00    -0.491 OA
ATOM     12  O   LIG    1        0.395   2.141  -2.350  0.00  0.00    -0.353 OA
ATOM     13  C   LIG    1        0.905  -1.055  -0.872  0.00  0.00    +0.141 A 
ATOM     14  N   LIG    1       -0.898   1.678  -2.537  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  15
ATOM     15  N   LIG    1       -2.022  -0.401  -2.038  0.00  0.00    -0.196 N 
ATOM     16  H   LIG    1       -1.921  -1.293  -1.555  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1       -3.594   0.160  -2.054  0.00  0.00    +0.077 S 
ATOM     18  O   LIG    1       -4.439  -0.947  -1.647  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -3.843   0.837  -3.309  0.00  0.00    -0.150 OA
BRANCH  17  21
ATOM     20  C   LIG    1       -3.340   0.977   0.567  0.00  0.00    +0.147 A 
ATOM     21  C   LIG    1       -3.638   1.355  -0.745  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -3.991   2.678  -1.037  0.00  0.00    +0.032 A 
ATOM     23  C   LIG    1       -4.029   3.626  -0.014  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.710   3.256   1.293  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -3.358   1.936   1.583  0.00  0.00    +0.047 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -3.917  -0.976   1.652  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -2.942  -0.303   0.852  0.00  0.00    -0.493 OA
ENDBRANCH  20  27
ENDBRANCH  17  21
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   5  28
ATOM     28  O   LIG    1        4.347   0.192  -0.397  0.00  0.00    -0.432 OA
BRANCH  28  29
ATOM     29  C   LIG    1        4.706   0.863   0.702  0.00  0.00    +0.262 A 
ATOM     30  S   LIG    1        6.363   1.012   1.124  0.00  0.00    -0.037 S 
ATOM     31  C   LIG    1        5.917   1.915   2.511  0.00  0.00    +0.070 A 
ATOM     32  C   LIG    1        4.545   2.036   2.562  0.00  0.00    +0.122 A 
ATOM     33  N   LIG    1        3.854   1.431   1.531  0.00  0.00    -0.214 NA
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 6