REMARK  Name = BDB050046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.125   2.313  -2.457  0.00  0.00    +0.044 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.770   1.779  -1.333  0.00  0.00    +0.010 C 
BRANCH   2   3
ATOM      3  C   LIG    1        1.335   0.385  -1.613  0.00  0.00    +0.059 C 
BRANCH   3   8
ATOM      4  C   LIG    1        3.997  -0.418   0.598  0.00  0.00    +0.228 A 
ATOM      5  O   LIG    1        3.008  -0.992   1.356  0.00  0.00    -0.440 OA
ATOM      6  C   LIG    1        1.864  -0.776   0.642  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1        0.609  -1.288   1.216  0.00  0.00    +0.088 C 
ATOM      8  C   LIG    1        2.204  -0.091  -0.505  0.00  0.00    +0.083 A 
ATOM      9  N   LIG    1        3.562   0.133  -0.521  0.00  0.00    -0.214 NA
BRANCH   4  14
ATOM     10  C   LIG    1        9.419  -0.644   2.607  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        8.015  -0.614   2.080  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1        7.726   0.024   0.869  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        6.412   0.078   0.394  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        5.358  -0.492   1.122  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        5.653  -1.117   2.342  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        6.967  -1.173   2.819  0.00  0.00    +0.004 A 
ENDBRANCH   4  14
ENDBRANCH   3   8
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -1.357   1.457  -2.740  0.00  0.00    +0.263 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -2.070   1.243  -1.524  0.00  0.00    -0.394 OA
BRANCH  18  19
ATOM     19  N   LIG    1       -3.079   0.301  -1.758  0.00  0.00    -0.089 NA
ATOM     20  C   LIG    1       -3.778   0.064  -0.685  0.00  0.00    +0.088 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.904  -0.911  -0.783  0.00  0.00    -0.001 A 
ATOM     22  C   LIG    1       -5.673  -0.931  -1.954  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -6.740  -1.821  -2.077  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -7.038  -2.700  -1.037  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.268  -2.693   0.126  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.199  -1.802   0.254  0.00  0.00    +0.010 A 
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1       -3.541   0.767   0.649  0.00  0.00    +0.070 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.140   2.170   0.631  0.00  0.00    +0.127 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.643   2.148   0.639  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1       -6.376   2.729  -0.143  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -6.160   1.436   1.658  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1       -7.129   1.522   1.534  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  20  27
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 12