REMARK  Name = BDB056472
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.409  -0.935  -1.475  0.00  0.00    +0.080 C 
ATOM      2  C   LIG    1       -0.512  -1.957  -0.742  0.00  0.00    +0.023 C 
ATOM      3  C   LIG    1        0.333  -1.335   0.369  0.00  0.00    +0.010 C 
ATOM      4  C   LIG    1        1.197  -0.144  -0.104  0.00  0.00    +0.021 C 
ATOM      5  C   LIG    1        0.647   0.520  -1.381  0.00  0.00    +0.010 C 
ATOM      6  C   LIG    1       -0.878   0.503  -1.373  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -5.916  -0.971   0.804  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -4.563  -1.536   0.371  0.00  0.00    +0.132 C 
ATOM      9  C   LIG    1       -3.439  -0.516   0.079  0.00  0.00    +0.153 C 
ATOM     10  N   LIG    1       -2.818  -1.086  -1.100  0.00  0.00    -0.253 N 
ATOM     11  C   LIG    1       -3.607  -2.088  -1.622  0.00  0.00    +0.404 C 
ATOM     12  O   LIG    1       -3.350  -2.781  -2.592  0.00  0.00    -0.226 OA
ATOM     13  O   LIG    1       -4.747  -2.225  -0.881  0.00  0.00    -0.442 OA
ATOM     14  C   LIG    1       -4.101  -2.575   1.407  0.00  0.00    +0.058 C 
BRANCH   9  15
ATOM     15  C   LIG    1       -3.903   0.916  -0.142  0.00  0.00    -0.023 A 
ATOM     16  C   LIG    1       -3.802   1.842   0.911  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -4.230   3.161   0.744  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.767   3.572  -0.473  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.879   2.666  -1.524  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.452   1.346  -1.361  0.00  0.00    +0.005 A 
ENDBRANCH   9  15
ENDBRANCH   1  10
BRANCH   4  21
ATOM     21  C   LIG    1        2.664  -0.482  -0.256  0.00  0.00    -0.025 A 
ATOM     22  C   LIG    1        3.642   0.264   0.411  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        5.019  -0.021   0.280  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1        5.350  -1.096  -0.565  0.00  0.00    +0.127 A 
ATOM     25  N   LIG    1        4.423  -1.834  -1.212  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1        3.121  -1.514  -1.059  0.00  0.00    +0.116 A 
BRANCH  23  27
ATOM     27  C   LIG    1        6.018   0.801   0.991  0.00  0.00    +0.163 A 
ATOM     28  N   LIG    1        5.581   1.586   1.999  0.00  0.00    -0.236 NA
ATOM     29  C   LIG    1        6.502   2.342   2.626  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1        7.833   2.351   2.289  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        8.184   1.525   1.250  0.00  0.00    +0.114 A 
ATOM     32  N   LIG    1        7.306   0.745   0.589  0.00  0.00    -0.236 NA
ENDBRANCH  23  27
BRANCH  24  33
ATOM     33  N   LIG    1        6.672  -1.550  -0.724  0.00  0.00    -0.343 N 
ATOM     34  H   LIG    1        7.262  -0.729  -0.875  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1        6.981  -1.938   0.161  0.00  0.00    +0.144 HD
ENDBRANCH  24  33
ENDBRANCH   4  21
TORSDOF 5