REMARK  Name = BDB046527
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.915  -0.477  -0.254  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1        1.979  -1.462   0.772  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        0.825  -2.195   1.088  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1        0.857  -3.217   2.039  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        2.039  -3.500   2.717  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.189  -2.769   2.432  0.00  0.00    +0.002 A 
ATOM      7  O   LIG    1       -0.376  -2.009   0.457  0.00  0.00    -0.478 OA
ATOM      8  C   LIG    1       -0.529  -0.682  -0.027  0.00  0.00    +0.262 C 
ATOM      9  C   LIG    1        3.161  -1.760   1.462  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        0.680  -0.101  -0.780  0.00  0.00    +0.261 C 
ATOM     11  O   LIG    1        0.560   0.708  -1.701  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        3.121   0.154  -0.784  0.00  0.00    +0.114 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.457   1.449  -0.038  0.00  0.00    +0.029 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.688   2.147  -0.612  0.00  0.00    +0.097 C 
BRANCH  14  18
ATOM     15  C   LIG    1        8.398   1.446  -0.748  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1        7.085   2.030  -0.863  0.00  0.00    -0.318 N 
ATOM     17  H   LIG    1        6.944   2.763  -1.546  0.00  0.00    +0.148 HD
ATOM     18  C   LIG    1        5.983   1.422  -0.301  0.00  0.00    +0.213 C 
ATOM     19  O   LIG    1        6.045   0.408   0.385  0.00  0.00    -0.276 OA
ENDBRANCH  14  18
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   8  20
ATOM     20  C   LIG    1       -1.778  -0.642  -0.911  0.00  0.00    +0.095 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.035  -1.032  -0.140  0.00  0.00    +0.233 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -4.159  -0.834  -1.012  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -5.313  -0.580  -0.316  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1       -6.014   0.599  -0.614  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -7.206   0.866   0.076  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -7.692  -0.033   1.028  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.997  -1.211   1.296  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.810  -1.489   0.620  0.00  0.00    +0.046 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -5.500   1.568  -1.653  0.00  0.00    +0.159 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.210   2.253  -1.272  0.00  0.00    +0.309 C 
ATOM     31  O   LIG    1       -3.678   2.317  -0.174  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -3.643   2.876  -2.329  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -2.806   3.238  -1.970  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  24  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 11