REMARK  Name = BDB022153
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.091  -2.047  -0.489  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1        0.707  -0.882  -0.940  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        0.211   0.186  -1.851  0.00  0.00    +0.066 C 
ATOM      4  N   LIG    1        2.001  -0.888  -0.404  0.00  0.00    -0.202 N 
ATOM      5  N   LIG    1        2.251  -2.058   0.254  0.00  0.00    -0.171 NA
ATOM      6  C   LIG    1        1.111  -2.737   0.191  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.010   0.150  -0.465  0.00  0.00    +0.252 A 
ATOM      8  N   LIG    1        4.213  -0.102   0.093  0.00  0.00    -0.210 NA
ATOM      9  C   LIG    1        5.145   0.869   0.043  0.00  0.00    +0.083 A 
ATOM     10  C   LIG    1        4.904   2.094  -0.541  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        3.653   2.268  -1.079  0.00  0.00    +0.117 A 
ATOM     12  N   LIG    1        2.694   1.326  -1.053  0.00  0.00    -0.219 NA
BRANCH   9  13
ATOM     13  C   LIG    1        6.439   0.557   0.669  0.00  0.00    +0.038 A 
ATOM     14  S   LIG    1        7.013  -1.065   0.719  0.00  0.00    -0.095 S 
ATOM     15  C   LIG    1        8.454  -0.614   1.517  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        8.515   0.740   1.746  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        7.357   1.414   1.257  0.00  0.00    +0.017 A 
ENDBRANCH   9  13
ENDBRANCH   4   7
BRANCH   1  20
ATOM     18  N   LIG    1       -2.226  -1.555  -0.800  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.962  -0.623  -0.523  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1       -1.265  -2.535  -0.680  0.00  0.00    +0.247 C 
ATOM     21  O   LIG    1       -1.531  -3.732  -0.667  0.00  0.00    -0.270 OA
BRANCH  18  22
ATOM     22  C   LIG    1       -3.631  -1.906  -0.809  0.00  0.00    +0.120 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.575  -0.724  -1.110  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.902   0.223  -0.022  0.00  0.00    -0.301 NA
BRANCH  24  26
ATOM     25  C   LIG    1       -3.237   1.970  -0.698  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1       -3.806   1.094   0.414  0.00  0.00    +0.081 C 
ENDBRANCH  24  26
BRANCH  24  27
ATOM     27  C   LIG    1       -5.552  -0.462   1.109  0.00  0.00    +0.081 C 
ATOM     28  C   LIG    1       -6.398   0.479   1.963  0.00  0.00    +0.020 C 
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  18  22
ENDBRANCH   1  20
TORSDOF 8