REMARK  Name = BDB047383
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.523  -1.212   0.800  0.00  0.00    +0.221 A 
ATOM      2  C   LIG    1       -0.193  -1.622   0.741  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        0.042  -3.001   0.762  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -1.027  -3.902   0.848  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -2.332  -3.375   0.905  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -3.395  -4.264   0.988  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -3.197  -5.648   1.016  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.907  -6.163   0.961  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.822  -5.293   0.877  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -2.576  -2.055   0.878  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -1.757   0.149   0.747  0.00  0.00    -0.476 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -3.124   0.542   0.876  0.00  0.00    +0.231 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.857   0.535  -0.468  0.00  0.00    +0.041 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -3.135   1.281  -1.596  0.00  0.00    +0.003 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -4.046   3.602  -1.059  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -2.813   2.751  -1.319  0.00  0.00    -0.003 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   2  17
ATOM     17  C   LIG    1        0.928  -0.616   0.622  0.00  0.00    +0.161 C 
BRANCH  17  18
ATOM     18  O   LIG    1        2.147  -1.198   1.111  0.00  0.00    -0.386 OA
ATOM     19  H   LIG    1        2.813  -0.488   1.103  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        1.116  -0.164  -0.838  0.00  0.00    +0.125 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.024   0.996  -0.930  0.00  0.00    -0.099 C 
ATOM     22  C   LIG    1        2.766   1.938  -0.997  0.00  0.00    -0.102 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.680   3.087  -1.070  0.00  0.00    +0.089 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.667   3.102   0.096  0.00  0.00    +0.024 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.684   1.967   0.021  0.00  0.00    +0.121 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.625   2.036   1.186  0.00  0.00    +0.305 C 
ATOM     27  O   LIG    1        7.687   2.634   1.222  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1        6.164   1.377   2.265  0.00  0.00    -0.481 OA
ATOM     29  H   LIG    1        6.858   1.512   2.944  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   2  17
TORSDOF 14