REMARK  Name = BDB046533
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.221  -0.361  -0.037  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1        1.320  -1.664  -0.604  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        0.790  -1.899  -1.881  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1        0.920  -3.147  -2.497  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        1.558  -4.190  -1.833  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.074  -3.981  -0.559  0.00  0.00    +0.002 A 
ATOM      7  O   LIG    1        0.156  -0.944  -2.627  0.00  0.00    -0.478 OA
ATOM      8  C   LIG    1       -0.377   0.130  -1.858  0.00  0.00    +0.262 C 
ATOM      9  C   LIG    1        1.960  -2.726   0.050  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        0.497   0.624  -0.701  0.00  0.00    +0.261 C 
ATOM     11  O   LIG    1        0.467   1.804  -0.349  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        1.958   0.008   1.171  0.00  0.00    +0.114 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.461   0.225   0.949  0.00  0.00    +0.019 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.770   1.419   0.040  0.00  0.00    +0.002 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.269   1.633  -0.193  0.00  0.00    -0.000 C 
BRANCH  15  17
ATOM     16  C   LIG    1        7.483   2.374   0.753  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1        6.027   2.060   1.064  0.00  0.00    -0.003 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   8  18
ATOM     18  C   LIG    1       -1.774  -0.263  -1.358  0.00  0.00    +0.095 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.577   0.925  -0.835  0.00  0.00    +0.233 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -3.884   0.495  -0.446  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.096   0.095   0.847  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1       -5.438  -0.163   1.185  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -5.758  -0.577   2.489  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -4.756  -0.747   3.442  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -3.429  -0.502   3.102  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -3.099  -0.084   1.810  0.00  0.00    +0.046 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -6.544   0.024   0.170  0.00  0.00    +0.159 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -6.875   1.470  -0.103  0.00  0.00    +0.309 C 
ATOM     29  O   LIG    1       -6.635   2.446   0.589  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -7.578   1.619  -1.248  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1       -7.726   2.587  -1.296  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   8  18
TORSDOF 12