REMARK  Name = BDB059629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.475   0.109  -0.164  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1       -3.975   0.789   0.903  0.00  0.00    +0.045 A 
ATOM      3  C   LIG    1       -4.854   1.995   0.622  0.00  0.00    +0.279 A 
ATOM      4  O   LIG    1       -5.349   2.704   1.490  0.00  0.00    -0.265 OA
ATOM      5  N   LIG    1       -5.072   2.272  -0.737  0.00  0.00    -0.179 N 
ATOM      6  C   LIG    1       -4.543   1.540  -1.777  0.00  0.00    +0.156 A 
ATOM      7  C   LIG    1       -4.979   2.132  -2.937  0.00  0.00    +0.114 A 
ATOM      8  C   LIG    1       -5.770   3.214  -2.510  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1       -5.836   3.311  -1.178  0.00  0.00    -0.169 NA
ATOM     10  N   LIG    1       -3.764   0.482  -1.475  0.00  0.00    -0.338 N 
ATOM     11  H   LIG    1       -3.300  -0.079  -2.192  0.00  0.00    +0.167 HD
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1       -0.582  -2.180   0.210  0.00  0.00    +0.004 A 
ATOM     13  S   LIG    1       -1.713  -3.432  -0.090  0.00  0.00    -0.100 S 
ATOM     14  C   LIG    1       -3.002  -2.319  -0.251  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1       -2.591  -1.018  -0.046  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -1.189  -0.937   0.201  0.00  0.00    +0.022 A 
BRANCH  12  17
ATOM     17  C   LIG    1        0.868  -2.506   0.455  0.00  0.00    +0.126 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.775  -1.686  -0.377  0.00  0.00    -0.301 NA
ATOM     19  C   LIG    1        1.709  -2.115  -1.780  0.00  0.00    +0.105 C 
BRANCH  18  20
ATOM     20  C   LIG    1        3.149  -1.783   0.150  0.00  0.00    +0.084 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.114  -0.772  -0.489  0.00  0.00    +0.015 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.481  -0.807   0.202  0.00  0.00    +0.001 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.525   0.093  -0.465  0.00  0.00    -0.000 C 
BRANCH  23  25
ATOM     24  C   LIG    1        5.972   2.208   0.854  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        6.181   1.584  -0.517  0.00  0.00    -0.003 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  12  17
ENDBRANCH   1  15
BRANCH   2  26
ATOM     26  C   LIG    1       -3.796   0.519   2.396  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1       -3.776  -0.949   2.834  0.00  0.00    +0.012 C 
ATOM     28  C   LIG    1       -2.575   1.262   2.943  0.00  0.00    +0.012 C 
ENDBRANCH   2  26
BRANCH   7  29
ATOM     29  C   LIG    1       -4.693   1.734  -4.270  0.00  0.00    +0.104 C 
ATOM     30  N   LIG    1       -4.453   1.399  -5.355  0.00  0.00    -0.191 NA
ENDBRANCH   7  29
TORSDOF 10