REMARK  Name = BDB054735
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.172   1.582   0.323  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.678   2.317  -0.746  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -1.780   1.844  -1.469  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -2.388   0.628  -1.133  0.00  0.00    -0.043 A 
ATOM      5  C   LIG    1       -1.876  -0.107  -0.060  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.778   0.369   0.659  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.888   1.919   1.115  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1        1.615   3.116   0.837  0.00  0.00    +0.235 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.670   2.924  -0.254  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1        5.131   3.228   2.048  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        4.768   2.174   1.087  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.776   2.009   0.142  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        3.946   0.796  -0.488  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        4.997   0.261   0.103  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        5.551   1.054   1.074  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        5.634  -1.031  -0.140  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        5.099  -1.895  -1.107  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        5.686  -3.138  -1.363  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        6.817  -3.532  -0.652  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        7.361  -2.687   0.313  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        6.773  -1.444   0.568  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -3.589   0.130  -1.907  0.00  0.00    +0.091 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.915   0.663  -1.334  0.00  0.00    +0.285 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -6.074   0.589  -2.331  0.00  0.00    +0.346 C 
ATOM     25  O   LIG    1       -5.955   0.542  -3.546  0.00  0.00    -0.247 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -7.289   0.618  -1.725  0.00  0.00    -0.478 OA
ATOM     27  H   LIG    1       -7.194   0.603  -0.747  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  23  24
BRANCH  23  28
ATOM     28  O   LIG    1       -5.251   0.166  -0.033  0.00  0.00    -0.477 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -5.426  -1.169   0.199  0.00  0.00    +0.122 A 
ATOM     30  C   LIG    1       -5.375  -1.526   1.550  0.00  0.00    +0.045 A 
ATOM     31  C   LIG    1       -5.550  -2.853   1.944  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -5.789  -3.834   0.986  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.853  -3.484  -0.361  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1       -5.676  -2.154  -0.756  0.00  0.00    +0.045 A 
ENDBRANCH  28  29
ENDBRANCH  23  28
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 11