REMARK  Name = BDB000154
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.814   0.230   0.709  0.00  0.00    +0.236 C 
ATOM      2  N   LIG    1       -0.035  -0.870   1.020  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1        0.992  -0.813   2.063  0.00  0.00    +0.076 C 
ATOM      4  C   LIG    1        1.014  -2.246   2.612  0.00  0.00    +0.024 C 
ATOM      5  C   LIG    1        0.670  -3.094   1.395  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.373  -2.247   0.685  0.00  0.00    +0.108 C 
ATOM      7  O   LIG    1       -0.663   1.317   1.278  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -1.864   0.080  -0.421  0.00  0.00    +0.162 C 
BRANCH   8   9
ATOM      9  N   LIG    1       -3.063   0.753   0.068  0.00  0.00    -0.302 N 
ATOM     10  H   LIG    1       -2.993   1.747   0.285  0.00  0.00    +0.150 HD
ATOM     11  C   LIG    1       -4.004   0.084   0.822  0.00  0.00    +0.230 C 
ATOM     12  O   LIG    1       -4.020  -1.138   0.944  0.00  0.00    -0.274 OA
BRANCH  11  13
ATOM     13  C   LIG    1       -4.995   1.025   1.545  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -6.359   0.367   1.703  0.00  0.00    +0.033 C 
BRANCH  13  15
ATOM     15  N   LIG    1       -5.114   2.312   0.820  0.00  0.00    -0.320 NA
ATOM     16  H   LIG    1       -5.503   2.124  -0.105  0.00  0.00    +0.119 HD
ATOM     17  H   LIG    1       -5.802   2.894   1.297  0.00  0.00    +0.119 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   8   9
BRANCH   8  19
ATOM     18  C   LIG    1       -2.440   0.769  -2.802  0.00  0.00    +0.009 C 
ATOM     19  C   LIG    1       -1.349   0.736  -1.724  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1       -0.123   0.006  -2.285  0.00  0.00    +0.009 C 
ENDBRANCH   8  19
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1        2.371  -0.418   1.496  0.00  0.00    +0.023 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.472   1.060   1.102  0.00  0.00    +0.006 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.883   1.463   0.658  0.00  0.00    +0.035 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.309   0.831  -0.646  0.00  0.00    -0.047 A 
ATOM     25  C   LIG    1        3.729   1.240  -1.855  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        4.110   0.648  -3.060  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.076  -0.357  -3.068  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.661  -0.769  -1.872  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.280  -0.178  -0.666  0.00  0.00    +0.003 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 9