REMARK  Name = BDB000755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.582  -0.295   1.097  0.00  0.00    +0.007 A 
ATOM      2  S   LIG    1        0.700   1.125   1.464  0.00  0.00    -0.087 S 
ATOM      3  C   LIG    1       -0.771   0.483   0.838  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.577  -0.807   0.363  0.00  0.00    +0.084 A 
ATOM      5  N   LIG    1       -1.567  -1.548  -0.182  0.00  0.00    -0.227 NA
ATOM      6  C   LIG    1       -2.754  -0.934  -0.263  0.00  0.00    +0.163 A 
ATOM      7  N   LIG    1       -3.020   0.316   0.163  0.00  0.00    -0.211 NA
ATOM      8  C   LIG    1       -2.048   1.060   0.746  0.00  0.00    +0.140 A 
ATOM      9  C   LIG    1        0.768  -1.251   0.524  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -3.864  -1.728  -0.813  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -4.976  -1.117  -1.444  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -6.014  -1.906  -1.937  0.00  0.00    +0.066 A 
ATOM     13  N   LIG    1       -6.922  -1.030  -2.475  0.00  0.00    -0.277 N 
ATOM     14  H   LIG    1       -7.805  -1.253  -2.919  0.00  0.00    +0.189 HD
ATOM     15  N   LIG    1       -6.559   0.259  -2.392  0.00  0.00    -0.181 NA
ATOM     16  C   LIG    1       -6.028  -3.300  -1.853  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -4.931  -3.908  -1.246  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -5.377   0.202  -1.772  0.00  0.00    +0.143 A 
ATOM     19  C   LIG    1       -3.877  -3.143  -0.741  0.00  0.00    +0.012 A 
ENDBRANCH   6  10
BRANCH   8  20
ATOM     20  N   LIG    1       -2.337   2.344   1.244  0.00  0.00    -0.310 N 
ATOM     21  C   LIG    1       -3.450   3.028   0.548  0.00  0.00    +0.134 C 
ATOM     22  C   LIG    1       -4.770   2.870   1.317  0.00  0.00    +0.178 C 
ATOM     23  O   LIG    1       -4.722   3.433   2.641  0.00  0.00    -0.377 OA
ATOM     24  C   LIG    1       -3.398   3.454   3.197  0.00  0.00    +0.178 C 
ATOM     25  C   LIG    1       -2.522   2.286   2.716  0.00  0.00    +0.134 C 
ENDBRANCH   8  20
BRANCH   1  26
ATOM     26  C   LIG    1        3.049  -0.392   1.417  0.00  0.00    +0.127 C 
BRANCH  26  30
ATOM     27  N   LIG    1        6.053  -1.273  -0.507  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        6.106  -0.740   0.875  0.00  0.00    +0.124 C 
ATOM     29  C   LIG    1        5.262   0.540   1.030  0.00  0.00    +0.102 C 
ATOM     30  N   LIG    1        3.875   0.445   0.529  0.00  0.00    -0.295 NA
ATOM     31  C   LIG    1        3.904  -0.039  -0.868  0.00  0.00    +0.102 C 
ATOM     32  C   LIG    1        4.695  -1.340  -1.100  0.00  0.00    +0.124 C 
BRANCH  27  34
ATOM     33  C   LIG    1        7.362   0.556  -2.018  0.00  0.00    +0.215 C 
ATOM     34  S   LIG    1        7.396  -1.149  -1.505  0.00  0.00    +0.029 S 
ATOM     35  O   LIG    1        8.577  -1.338  -0.690  0.00  0.00    -0.158 OA
ATOM     36  O   LIG    1        7.160  -1.964  -2.677  0.00  0.00    -0.158 OA
ENDBRANCH  27  34
ENDBRANCH  26  30
ENDBRANCH   1  26
TORSDOF 5