REMARK  Name = BDB023970
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.673   5.164   1.164  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.936   4.441   0.771  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.170   3.203   1.349  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.145   2.410   2.056  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.899   1.162   1.273  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.837   0.220   1.305  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.018  -0.725   0.367  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.188  -0.418  -0.231  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.755   0.704   0.288  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.011   1.388  -0.137  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.368   2.453   0.925  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.719   4.958  -0.027  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.348   0.202   2.159  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        1.596  -0.146   1.657  0.00  0.00    -0.008 A 
ATOM     15  C   LIG    1        1.993  -0.564   0.280  0.00  0.00    +0.150 C 
ATOM     16  N   LIG    1        3.435  -0.748   0.386  0.00  0.00    -0.260 N 
ATOM     17  C   LIG    1        3.893  -0.511   1.682  0.00  0.00    +0.252 C 
ATOM     18  O   LIG    1        5.013  -0.570   2.157  0.00  0.00    -0.270 OA
ATOM     19  C   LIG    1        2.719  -0.131   2.480  0.00  0.00    +0.043 A 
ATOM     20  C   LIG    1        2.662   0.207   3.820  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        1.415   0.537   4.345  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        0.270   0.534   3.525  0.00  0.00    +0.010 A 
BRANCH  16  23
ATOM     23  C   LIG    1        4.249  -1.131  -0.671  0.00  0.00    +0.074 A 
ATOM     24  C   LIG    1        5.609  -1.333  -0.660  0.00  0.00    +0.131 A 
ATOM     25  N   LIG    1        5.958  -1.698  -1.926  0.00  0.00    -0.273 N 
ATOM     26  C   LIG    1        7.282  -2.015  -2.402  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        4.916  -1.749  -2.777  0.00  0.00    -0.178 NA
ATOM     28  C   LIG    1        3.878  -1.404  -2.009  0.00  0.00    +0.157 A 
ENDBRANCH  16  23
ENDBRANCH   6  13
BRANCH   8  29
ATOM     29  C   LIG    1       -2.673  -1.244  -1.330  0.00  0.00    +0.112 C 
ATOM     30  C   LIG    1       -2.772  -2.721  -0.946  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -3.348  -3.533  -2.102  0.00  0.00    +0.162 C 
ATOM     32  O   LIG    1       -3.154  -2.908  -3.372  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -1.876  -2.292  -3.487  0.00  0.00    +0.162 C 
ATOM     34  C   LIG    1       -1.819  -1.060  -2.593  0.00  0.00    +0.055 C 
ENDBRANCH   8  29
TORSDOF 3