REMARK  Name = BDB011115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.226  -0.033  -0.276  0.00  0.00    +0.242 C 
ATOM      2  N   LIG    1        0.969   0.513   0.123  0.00  0.00    -0.249 N 
ATOM      3  C   LIG    1        2.161  -0.321   0.402  0.00  0.00    +0.105 C 
ATOM      4  C   LIG    1        3.355   0.652   0.512  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1        2.673   1.979   0.507  0.00  0.00    -0.005 A 
ATOM      6  C   LIG    1        3.240   3.231   0.669  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        2.403   4.336   0.559  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.054   4.125   0.288  0.00  0.00    +0.113 A 
ATOM      9  N   LIG    1        0.491   2.904   0.129  0.00  0.00    -0.240 NA
ATOM     10  C   LIG    1        1.316   1.860   0.249  0.00  0.00    +0.131 A 
ATOM     11  O   LIG    1       -0.321  -1.262  -0.439  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -1.479   0.855  -0.485  0.00  0.00    +0.162 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -3.095   0.537  -2.368  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1       -2.423   0.048  -1.271  0.00  0.00    -0.302 N 
ATOM     15  H   LIG    1       -2.292  -0.955  -1.193  0.00  0.00    +0.150 HD
ATOM     16  O   LIG    1       -3.055   1.722  -2.695  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1       -3.904  -0.508  -3.171  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1       -4.690  -1.479  -2.290  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1       -1.943  -1.928  -3.732  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1       -3.093  -1.181  -4.210  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1       -3.699  -1.800  -4.746  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH  12  14
BRANCH  12  22
ATOM     22  C   LIG    1       -2.099   1.290   0.865  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1       -3.151   2.383   0.662  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1       -2.704   0.126   1.658  0.00  0.00    +0.009 C 
ENDBRANCH  12  22
ENDBRANCH   1  12
BRANCH   3  25
ATOM     25  C   LIG    1        1.976  -1.166   1.683  0.00  0.00    +0.130 C 
BRANCH  25  26
ATOM     26  N   LIG    1        2.897  -2.283   1.753  0.00  0.00    -0.279 N 
ATOM     27  H   LIG    1        2.670  -3.151   1.288  0.00  0.00    +0.152 HD
ATOM     28  C   LIG    1        4.061  -2.267   2.455  0.00  0.00    +0.400 C 
ATOM     29  O   LIG    1        4.494  -1.317   3.087  0.00  0.00    -0.226 OA
BRANCH  28  30
ATOM     30  O   LIG    1        4.664  -3.473   2.333  0.00  0.00    -0.454 OA
ATOM     31  C   LIG    1        5.898  -3.578   3.044  0.00  0.00    +0.282 C 
ENDBRANCH  28  30
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8