REMARK  Name = BDB015168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.280   0.426  -0.523  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        2.217   0.618   0.379  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        1.188   1.544   0.143  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1        1.216   2.310  -1.014  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        2.267   2.156  -1.916  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        3.289   1.233  -1.668  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        4.291  -1.250   1.020  0.00  0.00    +0.138 C 
ATOM      8  N   LIG    1        4.344  -0.514  -0.245  0.00  0.00    -0.269 N 
ATOM      9  C   LIG    1        5.279  -0.899  -1.230  0.00  0.00    +0.269 C 
ATOM     10  O   LIG    1        5.056  -0.860  -2.437  0.00  0.00    -0.268 OA
BRANCH   9  11
ATOM     11  C   LIG    1        6.565  -1.357  -0.750  0.00  0.00    +0.124 A 
ATOM     12  N   LIG    1        7.415  -0.718   0.125  0.00  0.00    -0.330 N 
ATOM     13  C   LIG    1        7.244   0.590   0.708  0.00  0.00    +0.150 C 
ATOM     14  C   LIG    1        8.519  -1.506   0.289  0.00  0.00    +0.199 A 
ATOM     15  N   LIG    1        8.454  -2.587  -0.453  0.00  0.00    -0.243 NA
ATOM     16  C   LIG    1        7.267  -2.484  -1.131  0.00  0.00    +0.143 A 
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  O   LIG    1        0.244   1.588   1.128  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.887   2.453   1.004  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.103   1.772   0.341  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.947   1.762  -1.083  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1       -2.049   2.675  -1.399  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.302   0.328   0.869  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.567  -0.368   0.564  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.738   0.245   1.206  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -6.040  -0.459   0.875  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -6.144  -1.288  -0.257  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -7.366  -1.903  -0.560  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -8.485  -1.677   0.240  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -8.391  -0.841   1.351  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.925  -1.565  -1.102  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -7.176  -0.232   1.666  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.804  -0.541  -0.873  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 8