REMARK  Name = BDB021715
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.770  -0.119   0.794  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1       -1.097  -0.824   0.549  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1       -1.266   1.117   1.140  0.00  0.00    +0.307 C 
ATOM      4  N   LIG    1        0.038   1.374   0.683  0.00  0.00    -0.278 N 
ATOM      5  O   LIG    1       -1.887   1.948   1.798  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -5.672  -1.693   1.262  0.00  0.00    -0.047 A 
ATOM      7  C   LIG    1       -4.597  -2.499   0.877  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -3.317  -1.953   0.734  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -3.088  -0.592   0.974  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -4.164   0.215   1.342  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -5.445  -0.331   1.486  0.00  0.00    +0.005 A 
BRANCH   6  12
ATOM     12  C   LIG    1       -7.057  -2.272   1.402  0.00  0.00    +0.035 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -9.228  -2.792   0.234  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -7.833  -2.205   0.086  0.00  0.00    +0.001 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   4  15
ATOM     15  C   LIG    1        0.834   0.453  -0.168  0.00  0.00    +0.080 C 
ATOM     16  C   LIG    1        1.500  -0.655   0.674  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        3.026  -0.595   0.633  0.00  0.00    +0.086 C 
ATOM     18  N   LIG    1        3.584  -0.577  -0.718  0.00  0.00    -0.300 NA
ATOM     19  C   LIG    1        2.738   0.047  -1.738  0.00  0.00    +0.086 C 
ATOM     20  C   LIG    1        1.832   1.115  -1.131  0.00  0.00    +0.038 C 
BRANCH  18  21
ATOM     21  C   LIG    1        4.266  -1.794  -1.185  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1        3.385  -3.050  -1.133  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     23  C   LIG    1        5.589  -2.048  -0.425  0.00  0.00    +0.018 C 
BRANCH  23  24
ATOM     24  C   LIG    1        6.575  -0.880  -0.527  0.00  0.00    -0.002 C 
ATOM     25  C   LIG    1        7.894  -1.206   0.157  0.00  0.00    +0.004 C 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH   4  15
BRANCH   4  26
ATOM     26  C   LIG    1        0.678   2.589   1.209  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1        0.657   3.769   0.259  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -0.511   4.144  -0.422  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -0.516   5.250  -1.274  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        0.642   6.004  -1.448  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        1.804   5.657  -0.764  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        1.810   4.552   0.090  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 9