REMARK  Name = BDB054118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.271   0.070  -0.655  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.016   0.475  -0.240  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.015   1.230   0.436  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.464  -0.584  -1.680  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.147   0.299  -1.104  0.00  0.00    +0.090 C 
ATOM      6  C   LIG    1        2.454   0.278  -0.293  0.00  0.00    +0.130 C 
ATOM      7  N   LIG    1        3.644   0.102  -1.130  0.00  0.00    -0.299 N 
ATOM      8  C   LIG    1        4.849  -0.439  -0.679  0.00  0.00    +0.220 C 
ATOM      9  O   LIG    1        5.772  -0.680  -1.458  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        3.527   0.464  -2.542  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        2.589   1.649  -2.736  0.00  0.00    +0.021 C 
ATOM     12  C   LIG    1        1.183   1.376  -2.201  0.00  0.00    +0.025 C 
BRANCH   8  13
ATOM     13  C   LIG    1        4.949  -0.728   0.817  0.00  0.00    +0.131 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.360  -0.922   1.323  0.00  0.00    -0.039 A 
ATOM     15  C   LIG    1        6.937  -2.199   1.352  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        8.241  -2.375   1.818  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        8.982  -1.278   2.253  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        8.422  -0.002   2.218  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        7.118   0.177   1.752  0.00  0.00    +0.004 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  20
ATOM     20  C   LIG    1       -2.416   0.436   0.313  0.00  0.00    +0.162 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.454  -0.531   1.518  0.00  0.00    +0.018 C 
ATOM     22  C   LIG    1       -3.517  -0.110   2.543  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -3.424  -0.932   3.832  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -2.882  -2.346   3.619  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -3.228  -2.880   2.237  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -2.639  -2.012   1.120  0.00  0.00    +0.006 C 
ENDBRANCH  20  21
BRANCH  20  28
ATOM     27  C   LIG    1       -4.136   1.629  -0.981  0.00  0.00    +0.230 C 
ATOM     28  N   LIG    1       -3.660   0.445  -0.452  0.00  0.00    -0.302 N 
ATOM     29  H   LIG    1       -3.810  -0.385  -1.013  0.00  0.00    +0.150 HD
ATOM     30  O   LIG    1       -3.700   2.726  -0.628  0.00  0.00    -0.274 OA
BRANCH  27  31
ATOM     31  C   LIG    1       -5.327   1.486  -1.968  0.00  0.00    +0.137 C 
ATOM     32  C   LIG    1       -4.995   0.564  -3.138  0.00  0.00    +0.034 C 
BRANCH  31  34
ATOM     33  C   LIG    1       -7.096   3.010  -2.654  0.00  0.00    +0.101 C 
ATOM     34  N   LIG    1       -5.660   2.825  -2.503  0.00  0.00    -0.309 NA
ATOM     35  H   LIG    1       -5.296   3.523  -1.845  0.00  0.00    +0.122 HD
ENDBRANCH  31  34
ENDBRANCH  27  31
ENDBRANCH  20  28
ENDBRANCH   1  20
TORSDOF 8