REMARK  Name = BDB062141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.402  -2.092  -0.950  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1        1.723  -1.666  -0.857  0.00  0.00    +0.077 A 
ATOM      3  N   LIG    1        2.405  -2.543  -1.675  0.00  0.00    -0.333 N 
ATOM      4  C   LIG    1        3.819  -2.529  -1.966  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1        1.508  -3.428  -2.198  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1        0.288  -3.179  -1.786  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        2.359  -0.571  -0.115  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        2.326   0.780  -0.560  0.00  0.00    -0.007 A 
ATOM      9  C   LIG    1        2.942   1.790   0.232  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        2.889   3.132  -0.222  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        2.263   3.481  -1.418  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        1.676   2.498  -2.196  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.588   1.416   1.438  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1        3.631   0.079   1.844  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        1.712   1.169  -1.773  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        3.025  -0.905   1.072  0.00  0.00    +0.012 A 
BRANCH  13  17
ATOM     17  C   LIG    1        4.229   2.386   2.283  0.00  0.00    +0.100 C 
ATOM     18  N   LIG    1        4.754   3.162   2.969  0.00  0.00    -0.191 NA
ENDBRANCH  13  17
ENDBRANCH   2   7
BRANCH   1  23
ATOM     19  C   LIG    1       -2.980  -0.189   0.882  0.00  0.00    -0.019 A 
ATOM     20  C   LIG    1       -2.808  -0.173  -0.507  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -1.711  -0.805  -1.118  0.00  0.00    -0.041 A 
ATOM     22  C   LIG    1       -1.649  -0.811  -2.624  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -0.756  -1.474  -0.316  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -0.956  -1.553   1.080  0.00  0.00    -0.041 A 
ATOM     25  C   LIG    1       -0.052  -2.324   2.005  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -2.050  -0.885   1.662  0.00  0.00    +0.010 A 
BRANCH  19  27
ATOM     27  C   LIG    1       -4.157   0.507   1.532  0.00  0.00    +0.144 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -5.195   2.737   2.153  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1       -4.082   2.032   1.388  0.00  0.00    +0.033 C 
ENDBRANCH  27  29
BRANCH  27  30
ATOM     30  O   LIG    1       -5.374   0.030   0.958  0.00  0.00    -0.387 OA
ATOM     31  H   LIG    1       -5.220  -0.891   0.686  0.00  0.00    +0.210 HD
ENDBRANCH  27  30
ENDBRANCH  19  27
ENDBRANCH   1  23
TORSDOF 6