REMARK  Name = BDB003243
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.394  -1.855   0.349  0.00  0.00    +0.091 C 
ATOM      2  C   LIG    1        0.731  -1.272  -0.853  0.00  0.00    +0.111 C 
ATOM      3  C   LIG    1       -0.643  -1.872  -0.654  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1       -1.632  -0.990   0.116  0.00  0.00    +0.159 C 
ATOM      5  N   LIG    1       -2.950  -1.378  -0.377  0.00  0.00    -0.286 N 
ATOM      6  C   LIG    1       -4.160  -0.881   0.050  0.00  0.00    +0.216 C 
ATOM      7  O   LIG    1       -5.218  -1.278  -0.438  0.00  0.00    -0.276 OA
ATOM      8  C   LIG    1       -2.842  -2.305  -1.511  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1       -1.381  -2.181  -1.956  0.00  0.00    +0.084 C 
ATOM     10  O   LIG    1       -0.400  -3.071   0.092  0.00  0.00    -0.385 OA
ATOM     11  N   LIG    1        0.761  -2.855   0.874  0.00  0.00    -0.088 NA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1        4.645   0.087   0.678  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        3.439  -0.405   0.155  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1        2.674  -1.331   0.877  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.122  -1.778   2.123  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        4.318  -1.294   2.646  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        5.074  -0.364   1.927  0.00  0.00    +0.023 A 
BRANCH  12  19
ATOM     18  C   LIG    1        6.525   1.673   0.223  0.00  0.00    +0.243 C 
ATOM     19  N   LIG    1        5.362   1.010  -0.112  0.00  0.00    -0.282 N 
ATOM     20  H   LIG    1        4.962   1.240  -1.011  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1        7.113   1.648   1.296  0.00  0.00    -0.270 OA
BRANCH  18  23
ATOM     22  C   LIG    1        7.105   2.125  -2.140  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1        7.027   2.564  -0.873  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        7.488   3.921  -0.437  0.00  0.00    +0.048 C 
ENDBRANCH  18  23
ENDBRANCH  12  19
ENDBRANCH   1  14
BRANCH   8  25
ATOM     25  C   LIG    1       -3.226  -3.771  -1.197  0.00  0.00    +0.231 C 
ATOM     26  O   LIG    1       -2.724  -4.740  -1.760  0.00  0.00    -0.274 OA
ATOM     27  N   LIG    1       -4.300  -3.949  -0.372  0.00  0.00    -0.328 N 
ATOM     28  H   LIG    1       -4.667  -4.889  -0.311  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1       -4.963  -3.183  -0.268  0.00  0.00    +0.145 HD
ENDBRANCH   8  25
BRANCH   6  30
ATOM     30  C   LIG    1       -4.113   0.126   1.189  0.00  0.00    +0.096 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -5.459   0.788   1.480  0.00  0.00    +0.009 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -6.005   1.710   0.381  0.00  0.00    +0.000 C 
BRANCH  32  33
ATOM     33  C   LIG    1       -5.116   2.912   0.047  0.00  0.00    -0.003 C 
ATOM     34  C   LIG    1       -4.241   2.688  -1.178  0.00  0.00    +0.004 C 
ENDBRANCH  32  33
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH   6  30
TORSDOF 8