REMARK  Name = BDB034873
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.697   1.417  -1.444  0.00  0.00    -0.303 N 
ATOM      2  C   LIG    1       -0.325   1.245  -1.387  0.00  0.00    +0.150 C 
ATOM      3  N   LIG    1        0.215   0.072  -1.516  0.00  0.00    -0.155 NA
ATOM      4  S   LIG    1        0.601   2.721  -1.087  0.00  0.00    -0.093 S 
ATOM      5  C   LIG    1       -0.401   3.286   0.314  0.00  0.00    +0.078 C 
ATOM      6  C   LIG    1       -1.882   3.430  -0.024  0.00  0.00    +0.030 C 
ATOM      7  C   LIG    1       -2.327   2.723  -1.300  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.578  -0.039  -1.453  0.00  0.00    +0.271 C 
ATOM      9  O   LIG    1        2.321   0.110  -2.416  0.00  0.00    -0.268 OA
BRANCH   8  10
ATOM     10  C   LIG    1        2.060  -0.445  -0.129  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1        3.421  -0.683   0.256  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1        3.415  -1.037   1.601  0.00  0.00    +0.139 A 
ATOM     13  N   LIG    1        4.470  -1.348   2.376  0.00  0.00    -0.237 NA
ATOM     14  C   LIG    1        5.646  -1.289   1.710  0.00  0.00    +0.113 A 
ATOM     15  C   LIG    1        5.804  -0.951   0.372  0.00  0.00    +0.020 A 
ATOM     16  N   LIG    1        2.122  -1.018   2.038  0.00  0.00    -0.345 N 
ATOM     17  H   LIG    1        1.850  -1.230   2.986  0.00  0.00    +0.167 HD
ATOM     18  C   LIG    1        4.674  -0.639  -0.383  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1        1.290  -0.666   1.008  0.00  0.00    +0.098 A 
ENDBRANCH   8  10
ENDBRANCH   3   8
BRANCH   1  20
ATOM     20  C   LIG    1       -2.575   0.238  -1.413  0.00  0.00    +0.202 C 
BRANCH  20  23
ATOM     21  C   LIG    1       -2.912  -2.357   1.407  0.00  0.00    +0.131 C 
ATOM     22  N   LIG    1       -3.028  -1.713   0.109  0.00  0.00    -0.306 N 
ATOM     23  C   LIG    1       -2.642  -0.374   0.002  0.00  0.00    +0.232 C 
ATOM     24  O   LIG    1       -2.398   0.307   1.004  0.00  0.00    -0.274 OA
ATOM     25  C   LIG    1       -3.164  -2.601  -1.035  0.00  0.00    +0.131 C 
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 4