REMARK  Name = BDB059426
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.228  -1.050  -0.113  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        0.748  -2.006  -1.022  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -0.583  -1.981  -1.469  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -1.055  -3.032  -2.433  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1       -1.423  -0.946  -1.030  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1       -0.981  -0.003  -0.090  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -1.903   1.051   0.452  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1        0.352  -0.055   0.344  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1  15
ATOM      9  C   LIG    1        6.405   1.740   1.207  0.00  0.00    +0.127 A 
ATOM     10  C   LIG    1        5.093   1.538   0.786  0.00  0.00    +0.092 A 
ATOM     11  C   LIG    1        4.535   0.260   0.802  0.00  0.00    +0.146 A 
ATOM     12  C   LIG    1        5.283  -0.835   1.240  0.00  0.00    +0.106 A 
ATOM     13  C   LIG    1        4.618  -2.163   1.226  0.00  0.00    +0.197 A 
ATOM     14  C   LIG    1        3.223  -2.199   0.753  0.00  0.00    +0.098 A 
ATOM     15  C   LIG    1        2.627  -1.068   0.355  0.00  0.00    +0.139 A 
ATOM     16  O   LIG    1        5.144  -3.211   1.577  0.00  0.00    -0.287 OA
ATOM     17  C   LIG    1        6.610  -0.645   1.669  0.00  0.00    +0.138 A 
ATOM     18  O   LIG    1        3.235   0.172   0.370  0.00  0.00    -0.454 OA
ATOM     19  C   LIG    1        7.159   0.649   1.648  0.00  0.00    +0.092 A 
BRANCH   9  21
ATOM     20  C   LIG    1        8.158   3.314   1.561  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        6.828   3.039   1.140  0.00  0.00    -0.495 OA
ENDBRANCH   9  21
BRANCH  17  22
ATOM     22  O   LIG    1        7.302  -1.749   2.088  0.00  0.00    -0.494 OA
ATOM     23  C   LIG    1        8.631  -1.590   2.559  0.00  0.00    +0.277 C 
ENDBRANCH  17  22
ENDBRANCH   1  15
BRANCH   5  24
ATOM     24  O   LIG    1       -2.722  -0.893  -1.469  0.00  0.00    -0.489 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -2.813  -0.118  -2.677  0.00  0.00    +0.261 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.271  -0.086  -3.160  0.00  0.00    +0.166 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -4.831  -1.403  -3.140  0.00  0.00    -0.387 OA
ATOM     28  H   LIG    1       -4.487  -1.810  -2.321  0.00  0.00    +0.210 HD
ENDBRANCH  26  27
BRANCH  26  29
ATOM     29  C   LIG    1       -5.174   0.933  -2.420  0.00  0.00    +0.119 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -5.264   0.841  -0.950  0.00  0.00    -0.300 NA
ATOM     31  C   LIG    1       -5.875   2.046  -0.383  0.00  0.00    +0.084 C 
ATOM     32  C   LIG    1       -5.747   2.055   1.145  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1       -5.987   0.685   1.779  0.00  0.00    +0.002 C 
ATOM     34  C   LIG    1       -6.722  -0.237   0.820  0.00  0.00    +0.015 C 
ATOM     35  C   LIG    1       -5.963  -0.380  -0.507  0.00  0.00    +0.084 C 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 9