REMARK  Name = BDB018576
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.174  -1.111  -0.410  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -0.766  -1.412  -0.725  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.465  -2.671  -1.102  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -1.417  -3.669  -1.224  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -0.985  -4.990  -1.654  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -2.763  -3.441  -0.976  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -3.656  -4.274  -1.093  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -3.110  -2.070  -0.530  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -3.961   3.912   1.701  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1       -3.513   2.604   1.121  0.00  0.00    +0.038 A 
ATOM     11  N   LIG    1       -2.756   1.802   1.907  0.00  0.00    -0.260 NA
ATOM     12  C   LIG    1       -2.347   0.623   1.381  0.00  0.00    +0.119 A 
ATOM     13  C   LIG    1       -2.658   0.189   0.096  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -3.443   1.033  -0.692  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.875   2.254  -0.177  0.00  0.00    +0.023 A 
ENDBRANCH   1  13
BRANCH   2  16
ATOM     16  C   LIG    1        0.263  -0.416  -0.643  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        1.486  -0.561  -0.023  0.00  0.00    +0.123 A 
ATOM     18  N   LIG    1        2.185   0.614  -0.199  0.00  0.00    -0.238 N 
ATOM     19  N   LIG    1        1.421   1.529  -0.858  0.00  0.00    -0.174 NA
ATOM     20  C   LIG    1        0.283   0.895  -1.141  0.00  0.00    +0.143 A 
BRANCH  18  21
ATOM     21  C   LIG    1        3.506   0.968   0.222  0.00  0.00    +0.083 A 
ATOM     22  C   LIG    1        4.489   0.041   0.615  0.00  0.00    +0.077 A 
ATOM     23  C   LIG    1        5.747   0.509   1.047  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1        6.040   1.871   1.075  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.084   2.788   0.661  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        3.831   2.342   0.234  0.00  0.00    +0.029 A 
BRANCH  22  27
ATOM     27  C   LIG    1        4.345  -1.383   0.535  0.00  0.00    +0.101 C 
ATOM     28  N   LIG    1        4.245  -2.538   0.471  0.00  0.00    -0.191 NA
ENDBRANCH  22  27
ENDBRANCH  18  21
ENDBRANCH   2  16
TORSDOF 4