REMARK  Name = BDB020012
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.874   0.846  -0.189  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -0.413   0.284  -0.146  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.603  -1.090  -0.339  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.501  -1.925  -0.545  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        1.799  -1.398  -0.583  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1        1.965  -0.011  -0.421  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        0.172   5.034   2.472  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1        0.740   4.320   1.282  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1        1.447   5.056   0.397  0.00  0.00    -0.260 NA
ATOM     10  C   LIG    1        1.970   4.410  -0.665  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1        1.815   3.053  -0.896  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        1.075   2.291   0.013  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1        0.534   2.951   1.125  0.00  0.00    +0.031 A 
ENDBRANCH   1  12
BRANCH   3  14
ATOM     14  C   LIG    1       -1.956  -1.710  -0.304  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1       -2.993  -0.928  -0.758  0.00  0.00    -0.308 N 
ATOM     16  H   LIG    1       -2.814  -0.006  -1.120  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1       -2.082  -2.864   0.088  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -4.371  -1.373  -0.717  0.00  0.00    +0.079 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -5.109  -1.060  -1.997  0.00  0.00    +0.010 C 
ATOM     20  C   LIG    1       -4.422  -0.998  -3.342  0.00  0.00    +0.006 C 
ATOM     21  C   LIG    1       -4.989   0.256  -2.731  0.00  0.00    +0.006 C 
ENDBRANCH  18  19
BRANCH  18  22
ATOM     22  C   LIG    1       -5.038  -0.702   0.457  0.00  0.00    +0.010 C 
ATOM     23  C   LIG    1       -4.833  -1.229   1.857  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -6.170  -1.381   1.188  0.00  0.00    +0.006 C 
ENDBRANCH  18  22
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  25
ATOM     25  C   LIG    1        2.979  -2.313  -0.842  0.00  0.00    +0.159 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.077  -2.071   0.071  0.00  0.00    -0.313 N 
ATOM     27  C   LIG    1        5.226  -1.320  -0.208  0.00  0.00    +0.204 A 
ATOM     28  N   LIG    1        5.570  -0.709  -1.285  0.00  0.00    -0.268 NA
ATOM     29  H   LIG    1        4.862  -0.847  -2.003  0.00  0.00    +0.190 HD
ATOM     30  N   LIG    1        5.950  -1.348   0.987  0.00  0.00    -0.320 N 
ATOM     31  C   LIG    1        7.157  -0.587   1.195  0.00  0.00    +0.152 C 
ATOM     32  C   LIG    1        5.242  -2.041   1.955  0.00  0.00    +0.106 A 
ATOM     33  C   LIG    1        4.109  -2.489   1.399  0.00  0.00    +0.107 A 
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 7