REMARK  Name = BDB002388
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.037   0.191   2.094  0.00  0.00    +0.203 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        2.251   1.975  -0.469  0.00  0.00    +0.159 C 
ATOM      3  C   LIG    1        1.169   1.702   0.596  0.00  0.00    +0.236 C 
ATOM      4  O   LIG    1        0.474   2.636   1.012  0.00  0.00    -0.274 OA
ATOM      5  N   LIG    1        1.000   0.409   1.075  0.00  0.00    -0.291 N 
ATOM      6  C   LIG    1        1.672  -0.778   0.546  0.00  0.00    +0.108 C 
ATOM      7  C   LIG    1        1.392  -1.051  -0.928  0.00  0.00    +0.019 C 
ATOM      8  C   LIG    1        2.244  -0.213  -1.871  0.00  0.00    +0.004 C 
ATOM      9  C   LIG    1        1.953   1.284  -1.805  0.00  0.00    +0.032 C 
BRANCH   2  11
ATOM     10  C   LIG    1        4.732   2.273  -0.481  0.00  0.00    +0.230 C 
ATOM     11  N   LIG    1        3.585   1.734   0.060  0.00  0.00    -0.303 N 
ATOM     12  H   LIG    1        3.739   1.069   0.810  0.00  0.00    +0.149 HD
ATOM     13  O   LIG    1        4.740   2.998  -1.470  0.00  0.00    -0.274 OA
BRANCH  10  14
ATOM     14  C   LIG    1        5.993   1.935   0.350  0.00  0.00    +0.137 C 
ATOM     15  C   LIG    1        7.284   2.293  -0.383  0.00  0.00    +0.034 C 
BRANCH  14  17
ATOM     16  C   LIG    1        6.186  -0.459  -0.178  0.00  0.00    +0.101 C 
ATOM     17  N   LIG    1        5.930   0.540   0.859  0.00  0.00    -0.309 NA
ATOM     18  H   LIG    1        6.643   0.433   1.582  0.00  0.00    +0.122 HD
ENDBRANCH  14  17
ENDBRANCH  10  14
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  19
ATOM     19  C   LIG    1       -1.299  -0.326   1.484  0.00  0.00    +0.214 A 
ATOM     20  O   LIG    1       -2.439   0.383   1.743  0.00  0.00    -0.437 OA
ATOM     21  C   LIG    1       -3.429  -0.299   1.081  0.00  0.00    +0.163 A 
ATOM     22  C   LIG    1       -2.827  -1.366   0.434  0.00  0.00    +0.117 A 
ATOM     23  N   LIG    1       -1.484  -1.407   0.747  0.00  0.00    -0.211 NA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.772   0.236   1.249  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1       -4.990   1.620   1.259  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -6.278   2.138   1.415  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -7.362   1.278   1.570  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.160  -0.100   1.575  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.872  -0.617   1.416  0.00  0.00    +0.011 A 
ENDBRANCH  21  24
BRANCH  22  30
ATOM     30  C   LIG    1       -3.442  -2.339  -0.452  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.014  -3.674  -0.413  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1       -3.576  -4.627  -1.266  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -4.568  -4.254  -2.171  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.992  -2.928  -2.229  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1       -4.428  -1.972  -1.378  0.00  0.00    +0.010 A 
ENDBRANCH  22  30
ENDBRANCH   1  19
TORSDOF 7