REMARK  Name = BDB023898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.906   5.107  -0.956  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.602   4.122  -1.863  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.422   2.772  -1.590  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.388   2.289  -0.656  0.00  0.00    +0.145 C 
ATOM      5  C   LIG    1       -1.667   0.882  -0.238  0.00  0.00    -0.002 A 
ATOM      6  C   LIG    1       -1.011   0.089   0.738  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -1.634  -1.143   0.755  0.00  0.00    +0.095 A 
ATOM      8  N   LIG    1       -2.655  -1.130  -0.169  0.00  0.00    -0.346 N 
ATOM      9  C   LIG    1       -2.659   0.092  -0.791  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -3.578   0.556  -1.869  0.00  0.00    +0.072 C 
ATOM     11  C   LIG    1       -2.967   1.795  -2.552  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.304   4.531  -2.788  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.113   0.417   1.594  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1        1.452   0.322   1.133  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        2.503   0.682   2.001  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        3.830   0.595   1.554  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        4.091   0.155   0.260  0.00  0.00    +0.075 A 
ATOM     18  N   LIG    1        3.107  -0.199  -0.595  0.00  0.00    -0.254 NA
ATOM     19  C   LIG    1        2.206   1.122   3.302  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        0.887   1.208   3.747  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.831  -0.113  -0.146  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1       -0.157   0.859   2.896  0.00  0.00    +0.009 A 
BRANCH  17  23
ATOM     23  C   LIG    1        5.438   0.041  -0.273  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        6.621   0.340   0.374  0.00  0.00    +0.118 A 
ATOM     25  N   LIG    1        7.623   0.079  -0.517  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        9.041   0.237  -0.303  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        7.183  -0.372  -1.704  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        5.855  -0.394  -1.554  0.00  0.00    +0.144 A 
ENDBRANCH  17  23
ENDBRANCH   6  13
BRANCH   8  29
ATOM     29  C   LIG    1       -3.563  -2.243  -0.436  0.00  0.00    +0.091 C 
ATOM     30  C   LIG    1       -4.242  -2.776   0.828  0.00  0.00    +0.053 C 
ATOM     31  C   LIG    1       -5.243  -3.871   0.467  0.00  0.00    +0.162 C 
ATOM     32  O   LIG    1       -4.932  -4.535  -0.759  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -3.533  -4.718  -0.947  0.00  0.00    +0.162 C 
ATOM     34  C   LIG    1       -2.865  -3.374  -1.205  0.00  0.00    +0.053 C 
ENDBRANCH   8  29
TORSDOF 3