REMARK  Name = BDB033453
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.835  -2.780  -0.066  0.00  0.00    -0.211 N 
ATOM      2  H   LIG    1        2.313  -3.683  -0.109  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.246  -2.014   1.070  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        2.417  -0.628   0.966  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        2.750   0.171   2.062  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        2.830   1.513   1.589  0.00  0.00    +0.077 A 
ATOM      7  C   LIG    1        2.559   1.501   0.237  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1        2.923  -0.448   3.319  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        2.753  -1.833   3.435  0.00  0.00    +0.003 A 
ATOM     10  N   LIG    1        2.318   0.204  -0.129  0.00  0.00    -0.358 N 
ATOM     11  H   LIG    1        2.102  -0.116  -1.064  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1        2.414  -2.605   2.325  0.00  0.00    +0.026 A 
BRANCH   6  13
ATOM     13  C   LIG    1        3.137   2.680   2.354  0.00  0.00    +0.101 C 
ATOM     14  N   LIG    1        3.395   3.628   2.973  0.00  0.00    -0.191 NA
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1        0.165  -3.125  -0.149  0.00  0.00    +0.108 S 
ATOM     16  O   LIG    1       -0.242  -3.776   1.076  0.00  0.00    -0.147 OA
ATOM     17  O   LIG    1       -0.047  -3.756  -1.436  0.00  0.00    -0.147 OA
BRANCH  15  21
ATOM     18  C   LIG    1       -1.893   0.239  -0.750  0.00  0.00    +0.091 A 
ATOM     19  N   LIG    1       -1.569   0.344   0.543  0.00  0.00    -0.080 NA
ATOM     20  O   LIG    1       -0.873  -0.801   0.864  0.00  0.00    -0.334 OA
ATOM     21  C   LIG    1       -0.737  -1.602  -0.237  0.00  0.00    +0.292 A 
ATOM     22  C   LIG    1       -1.385  -0.970  -1.283  0.00  0.00    +0.098 A 
BRANCH  18  24
ATOM     23  C   LIG    1       -3.179   2.417  -0.500  0.00  0.00    +0.017 C 
ATOM     24  C   LIG    1       -2.675   1.324  -1.466  0.00  0.00    +0.008 C 
ATOM     25  C   LIG    1       -3.906   0.715  -2.170  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1       -1.778   1.997  -2.524  0.00  0.00    +0.017 C 
ENDBRANCH  18  24
ENDBRANCH  15  21
ENDBRANCH   1  15
TORSDOF 5