REMARK  Name = BDB022113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.179  -1.170   1.111  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1        0.574  -0.923  -0.024  0.00  0.00    +0.063 A 
ATOM      3  N   LIG    1        1.832  -0.508   0.402  0.00  0.00    -0.201 N 
ATOM      4  N   LIG    1        1.940  -0.601   1.764  0.00  0.00    -0.171 NA
ATOM      5  C   LIG    1        0.740  -1.017   2.166  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   1  10
ATOM      6  N   LIG    1       -4.831   0.911  -0.217  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -3.606   1.423   0.435  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -2.356   0.562   0.169  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -2.542  -0.816   0.637  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1       -1.559  -1.596   1.237  0.00  0.00    +0.250 C 
ATOM     11  O   LIG    1       -1.836  -2.606   1.881  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -3.922  -1.293   0.681  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1       -4.821  -0.565  -0.333  0.00  0.00    +0.103 C 
BRANCH   6  15
ATOM     14  C   LIG    1       -6.195   2.910   0.407  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -6.054   1.391   0.441  0.00  0.00    +0.081 C 
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   3  16
ATOM     16  C   LIG    1        2.926  -0.020  -0.401  0.00  0.00    +0.252 A 
ATOM     17  N   LIG    1        4.081   0.285   0.228  0.00  0.00    -0.210 NA
ATOM     18  C   LIG    1        5.105   0.753  -0.517  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1        4.995   0.927  -1.881  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        3.782   0.599  -2.437  0.00  0.00    +0.117 A 
ATOM     21  N   LIG    1        2.739   0.132  -1.730  0.00  0.00    -0.219 NA
BRANCH  18  22
ATOM     22  C   LIG    1        6.319   1.050   0.266  0.00  0.00    +0.038 A 
ATOM     23  S   LIG    1        7.748   1.675  -0.460  0.00  0.00    -0.095 S 
ATOM     24  C   LIG    1        8.585   1.720   1.027  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        7.808   1.273   2.069  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        6.508   0.889   1.631  0.00  0.00    +0.017 A 
ENDBRANCH  18  22
ENDBRANCH   3  16
BRANCH   2  27
ATOM     27  C   LIG    1        0.103  -1.099  -1.500  0.00  0.00    +0.039 C 
ATOM     28  C   LIG    1        0.703  -2.220  -2.312  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -0.733  -2.290  -1.896  0.00  0.00    +0.010 C 
ENDBRANCH   2  27
TORSDOF 5