REMARK  Name = BDB012520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.425  -0.972  -0.200  0.00  0.00    +0.069 A 
ATOM      2  N   LIG    1        1.641   0.050   0.354  0.00  0.00    -0.343 N 
ATOM      3  C   LIG    1        2.123   1.293   0.917  0.00  0.00    +0.149 C 
ATOM      4  C   LIG    1        0.338  -0.322   0.258  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -0.982   0.252   0.611  0.00  0.00    +0.159 C 
ATOM      6  N   LIG    1       -1.871  -0.902   0.231  0.00  0.00    -0.253 N 
ATOM      7  C   LIG    1       -1.123  -1.970  -0.353  0.00  0.00    +0.254 C 
ATOM      8  O   LIG    1       -1.500  -3.040  -0.801  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.251  -1.559  -0.296  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1        1.542  -1.986  -0.601  0.00  0.00    +0.042 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -3.252  -0.925   0.454  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -4.068  -1.876  -0.045  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -5.441  -1.885   0.164  0.00  0.00    -0.315 N 
ATOM     14  C   LIG    1       -6.221  -2.952  -0.445  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -6.096  -0.897   0.900  0.00  0.00    +0.270 A 
ATOM     16  O   LIG    1       -7.312  -0.866   1.075  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1       -5.199   0.147   1.485  0.00  0.00    +0.107 A 
ATOM     18 CL   LIG    1       -5.902   1.383   2.457  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1       -3.877   0.109   1.267  0.00  0.00    +0.050 A 
ENDBRANCH   6  11
BRANCH   5  20
ATOM     20  C   LIG    1       -1.291   1.528  -0.161  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -1.411   2.750   0.524  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -1.693   3.932  -0.166  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.852   3.905  -1.549  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -2.196   5.361  -2.398  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -1.732   2.708  -2.248  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.452   1.525  -1.559  0.00  0.00    +0.007 A 
ENDBRANCH   5  20
BRANCH   1  29
ATOM     27  C   LIG    1        5.870  -0.134   0.478  0.00  0.00    +0.318 A 
ATOM     28  N   LIG    1        4.534  -0.154   0.557  0.00  0.00    -0.193 NA
ATOM     29  C   LIG    1        3.892  -0.949  -0.315  0.00  0.00    +0.094 A 
ATOM     30  C   LIG    1        4.557  -1.715  -1.251  0.00  0.00    +0.050 A 
ATOM     31  C   LIG    1        5.928  -1.617  -1.246  0.00  0.00    +0.118 A 
ATOM     32  N   LIG    1        6.611  -0.834  -0.394  0.00  0.00    -0.203 NA
BRANCH  27  34
ATOM     33  C   LIG    1        7.900   0.676   1.300  0.00  0.00    +0.280 C 
ATOM     34  O   LIG    1        6.482   0.704   1.386  0.00  0.00    -0.466 OA
ENDBRANCH  27  34
ENDBRANCH   1  29
TORSDOF 4