REMARK  Name = BDB054407
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.553  -1.559   1.196  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1        2.186  -1.554   0.810  0.00  0.00    -0.006 A 
ATOM      3  C   LIG    1        1.565  -2.805   0.567  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        0.218  -2.853   0.171  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -0.525  -1.685   0.011  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1        0.053  -0.450   0.288  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        2.292  -3.995   0.735  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        3.624  -3.975   1.147  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.393  -0.387   0.680  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        4.254  -2.759   1.381  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1        4.371   0.549   0.346  0.00  0.00    -0.311 N 
ATOM     12  H   LIG    1        3.970   0.252  -0.535  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        4.331  -0.316   1.418  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1        4.930  -0.145   2.471  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1        5.189   1.744   0.363  0.00  0.00    +0.104 C 
BRANCH  15  17
ATOM     16  C   LIG    1        7.482   2.700  -0.039  0.00  0.00    +0.005 C 
ATOM     17  C   LIG    1        6.633   1.440  -0.027  0.00  0.00    +0.015 C 
ENDBRANCH  15  17
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   5  18
ATOM     18  O   LIG    1       -1.846  -1.839  -0.348  0.00  0.00    -0.455 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -2.357  -0.928  -1.251  0.00  0.00    +0.139 A 
ATOM     20  C   LIG    1       -3.469  -0.146  -0.883  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -3.971   0.740  -1.853  0.00  0.00    +0.078 A 
ATOM     22  C   LIG    1       -5.059   1.538  -1.528  0.00  0.00    +0.077 A 
ATOM     23  C   LIG    1       -5.667   1.485  -0.268  0.00  0.00    +0.164 A 
ATOM     24  C   LIG    1       -5.170   0.602   0.704  0.00  0.00    +0.162 A 
ATOM     25  N   LIG    1       -3.438   0.843  -3.084  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1       -2.389   0.055  -3.401  0.00  0.00    +0.115 A 
ATOM     27  C   LIG    1       -4.076  -0.207   0.392  0.00  0.00    +0.063 A 
ATOM     28  C   LIG    1       -1.817  -0.846  -2.530  0.00  0.00    +0.066 A 
BRANCH  24  29
ATOM     29  O   LIG    1       -5.815   0.607   1.915  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -5.331  -0.266   2.926  0.00  0.00    +0.277 C 
ENDBRANCH  24  29
BRANCH  23  31
ATOM     31  O   LIG    1       -6.744   2.252   0.106  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -7.284   3.146  -0.857  0.00  0.00    +0.277 C 
ENDBRANCH  23  31
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 7