REMARK  Name = BDB054113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.005  -0.495  -0.134  0.00  0.00    +0.236 C 
ATOM      2  N   LIG    1       -0.175  -1.585  -0.402  0.00  0.00    -0.299 N 
ATOM      3  C   LIG    1       -0.374  -2.928   0.128  0.00  0.00    +0.132 C 
ATOM      4  O   LIG    1       -0.578   0.659  -0.245  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.150  -1.357  -1.024  0.00  0.00    +0.090 C 
ATOM      6  C   LIG    1        2.147  -0.586  -0.126  0.00  0.00    +0.106 C 
ATOM      7  N   LIG    1        3.487  -0.492  -0.750  0.00  0.00    -0.300 NA
ATOM      8  C   LIG    1        3.384   0.204  -2.046  0.00  0.00    +0.084 C 
ATOM      9  C   LIG    1        2.448  -0.535  -3.007  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        1.054  -0.712  -2.415  0.00  0.00    +0.025 C 
BRANCH   7  11
ATOM     11  C   LIG    1        4.408   0.207   0.172  0.00  0.00    +0.089 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.884   0.121  -0.253  0.00  0.00    +0.050 C 
BRANCH  12  13
ATOM     13  C   LIG    1        6.799   0.713   0.793  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1        7.048   2.092   0.821  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        7.879   2.641   1.799  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        8.465   1.819   2.759  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        8.220   0.447   2.744  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        7.389  -0.104   1.767  0.00  0.00    +0.003 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   1  19
ATOM     19  C   LIG    1       -2.490  -0.736   0.294  0.00  0.00    +0.162 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.446  -1.003  -0.906  0.00  0.00    +0.018 C 
ATOM     21  C   LIG    1       -4.934  -1.076  -0.473  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -5.512  -2.486  -0.527  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -5.423  -3.085  -1.929  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -4.164  -2.661  -2.685  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -3.049  -2.245  -1.732  0.00  0.00    +0.006 C 
ENDBRANCH  19  20
BRANCH  19  27
ATOM     26  C   LIG    1       -3.320   1.627   0.726  0.00  0.00    +0.230 C 
ATOM     27  N   LIG    1       -2.868   0.390   1.176  0.00  0.00    -0.302 N 
ATOM     28  H   LIG    1       -2.339   0.432   2.037  0.00  0.00    +0.150 HD
ATOM     29  O   LIG    1       -3.663   1.837  -0.433  0.00  0.00    -0.274 OA
BRANCH  26  30
ATOM     30  C   LIG    1       -3.385   2.688   1.863  0.00  0.00    +0.137 C 
ATOM     31  C   LIG    1       -4.402   2.287   2.932  0.00  0.00    +0.034 C 
BRANCH  30  33
ATOM     32  C   LIG    1       -4.900   4.349   0.832  0.00  0.00    +0.101 C 
ATOM     33  N   LIG    1       -3.574   4.068   1.366  0.00  0.00    -0.309 NA
ATOM     34  H   LIG    1       -3.380   4.725   2.120  0.00  0.00    +0.122 HD
ENDBRANCH  30  33
ENDBRANCH  26  30
ENDBRANCH  19  27
ENDBRANCH   1  19
TORSDOF 9