REMARK  Name = BDB046846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.072  -2.669  -0.674  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.564  -2.793  -0.986  0.00  0.00    +0.075 C 
BRANCH   2  11
ATOM      3  O   LIG    1       -4.464  -1.347   3.076  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -4.281  -1.116   1.887  0.00  0.00    +0.259 A 
ATOM      5  C   LIG    1       -4.790   0.099   1.230  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1       -4.521   0.254  -0.133  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1       -4.992   1.398  -0.779  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -5.716   2.365  -0.075  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -5.977   2.196   1.286  0.00  0.00    +0.001 A 
ATOM     10  N   LIG    1       -3.793  -0.694  -0.873  0.00  0.00    -0.234 NA
ATOM     11  C   LIG    1       -3.371  -1.748  -0.254  0.00  0.00    +0.110 A 
ATOM     12  C   LIG    1       -5.513   1.059   1.946  0.00  0.00    +0.015 A 
ATOM     13  N   LIG    1       -3.584  -1.978   1.078  0.00  0.00    -0.310 N 
ATOM     14  H   LIG    1       -3.240  -2.815   1.525  0.00  0.00    +0.170 HD
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -0.465  -1.382  -1.256  0.00  0.00    +0.085 C 
BRANCH  15  16
ATOM     16  N   LIG    1        0.997  -1.328  -1.097  0.00  0.00    -0.299 NA
ATOM     17  C   LIG    1        1.399  -1.280   0.332  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1        2.802  -0.675   0.574  0.00  0.00    +0.120 C 
ATOM     19  N   LIG    1        2.875   0.726   0.090  0.00  0.00    -0.327 N 
ATOM     20  C   LIG    1        1.903   1.056  -0.972  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1        1.575  -0.179  -1.840  0.00  0.00    +0.103 C 
BRANCH  19  22
ATOM     22  C   LIG    1        4.195   1.188  -0.010  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        4.818   1.508  -1.224  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        6.144   1.956  -1.268  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        6.875   2.095  -0.092  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.281   1.784   1.126  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.957   1.334   1.161  0.00  0.00    +0.023 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5