REMARK  Name = BDB001635
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.259  -0.654   0.100  0.00  0.00    +0.201 A 
ATOM      2  N   LIG    1       -0.116  -0.869  -0.654  0.00  0.00    -0.306 N 
ATOM      3  C   LIG    1       -0.404  -1.875  -1.537  0.00  0.00    +0.153 A 
ATOM      4  C   LIG    1        0.359  -2.511  -2.552  0.00  0.00    +0.280 A 
ATOM      5  N   LIG    1       -0.345  -3.505  -3.195  0.00  0.00    -0.273 N 
ATOM      6  H   LIG    1        0.139  -3.999  -3.927  0.00  0.00    +0.173 HD
ATOM      7  C   LIG    1       -1.639  -3.920  -2.937  0.00  0.00    +0.331 A 
ATOM      8  N   LIG    1       -2.324  -3.260  -1.923  0.00  0.00    -0.280 N 
ATOM      9  C   LIG    1       -3.682  -3.633  -1.579  0.00  0.00    +0.155 C 
ATOM     10  O   LIG    1       -2.113  -4.840  -3.604  0.00  0.00    -0.246 OA
ATOM     11  O   LIG    1        1.515  -2.238  -2.850  0.00  0.00    -0.265 OA
ATOM     12  C   LIG    1       -1.683  -2.246  -1.243  0.00  0.00    +0.170 A 
ATOM     13  N   LIG    1       -2.202  -1.518  -0.222  0.00  0.00    -0.196 NA
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -2.110  -0.072   2.246  0.00  0.00    +0.132 C 
ATOM     15  N   LIG    1       -1.311   0.296   1.074  0.00  0.00    -0.300 N 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.476   1.694   0.625  0.00  0.00    +0.142 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.914   2.141   0.458  0.00  0.00    -0.030 A 
ATOM     18  C   LIG    1       -3.705   1.647  -0.589  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -5.028   2.067  -0.741  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.574   2.989   0.150  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.800   3.489   1.194  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.478   3.068   1.349  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   2  23
ATOM     23  C   LIG    1        1.179  -0.236  -0.473  0.00  0.00    +0.126 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.103  -1.071   0.415  0.00  0.00    +0.033 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.338  -0.309   0.895  0.00  0.00    +0.079 C 
BRANCH  25  26
ATOM     26  S   LIG    1        4.427   0.181  -0.479  0.00  0.00    -0.086 S 
BRANCH  26  27
ATOM     27  C   LIG    1        5.745   0.966   0.418  0.00  0.00    +0.188 A 
ATOM     28  N   LIG    1        5.607   1.173   1.739  0.00  0.00    -0.230 NA
ATOM     29  C   LIG    1        6.637   1.778   2.361  0.00  0.00    +0.115 A 
ATOM     30  C   LIG    1        7.783   2.180   1.718  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        7.821   1.926   0.369  0.00  0.00    +0.115 A 
ATOM     32  N   LIG    1        6.822   1.325  -0.302  0.00  0.00    -0.230 NA
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 8