REMARK  Name = BDB023916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.493   5.481  -0.138  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.054   4.095  -0.323  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -1.150   3.040  -0.366  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.729   1.710  -0.628  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.755   0.630  -0.298  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.916  -0.783  -0.226  0.00  0.00    +0.100 A 
ATOM      7  N   LIG    1        0.241  -1.358   0.161  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1        1.126  -0.349   0.290  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1        0.565   0.865   0.035  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.172   2.216   0.125  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        0.289   3.216  -0.648  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.270   3.929  -0.420  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -2.112  -1.597  -0.472  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -2.272  -2.828   0.194  0.00  0.00    +0.056 A 
ATOM     15  C   LIG    1       -3.393  -3.643   0.039  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -3.206  -4.782   0.872  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1       -1.988  -4.650   1.499  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -4.415  -3.229  -0.834  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1       -4.274  -2.024  -1.528  0.00  0.00    +0.001 A 
ATOM     20  N   LIG    1       -1.433  -3.473   1.079  0.00  0.00    -0.360 N 
ATOM     21  H   LIG    1       -0.525  -3.101   1.331  0.00  0.00    +0.165 HD
ATOM     22  C   LIG    1       -3.141  -1.226  -1.352  0.00  0.00    +0.012 A 
ENDBRANCH   6  13
BRANCH   8  23
ATOM     23  C   LIG    1        2.494  -0.696   0.654  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1        3.469  -0.528  -0.515  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1        4.875  -0.908  -0.075  0.00  0.00    +0.162 C 
ATOM     26  O   LIG    1        5.260  -0.152   1.073  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1        4.430  -0.418   2.204  0.00  0.00    +0.162 C 
ATOM     28  C   LIG    1        2.999   0.009   1.916  0.00  0.00    +0.055 C 
ENDBRANCH   8  23
TORSDOF 2