REMARK  Name = BDB056474
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.314  -0.574   0.283  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -0.319  -1.557   0.296  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.003  -1.270  -0.082  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        1.383   0.015  -0.487  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1        0.391   1.002  -0.498  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -0.930   0.713  -0.118  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -4.581  -0.184   3.050  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -4.779  -0.554   1.571  0.00  0.00    +0.132 C 
ATOM      9  C   LIG    1       -3.719   0.130   0.684  0.00  0.00    +0.158 C 
ATOM     10  N   LIG    1       -2.657  -0.855   0.671  0.00  0.00    -0.226 N 
ATOM     11  C   LIG    1       -3.173  -2.089   1.048  0.00  0.00    +0.408 C 
ATOM     12  O   LIG    1       -2.627  -3.180   1.058  0.00  0.00    -0.226 OA
ATOM     13  O   LIG    1       -4.484  -1.954   1.433  0.00  0.00    -0.442 OA
ATOM     14  C   LIG    1       -6.244  -0.333   1.194  0.00  0.00    +0.058 C 
BRANCH   9  15
ATOM     15  C   LIG    1       -4.200   0.520  -0.711  0.00  0.00    -0.023 A 
ATOM     16  C   LIG    1       -4.595   1.847  -0.954  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -5.051   2.238  -2.215  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.122   1.309  -3.249  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.740  -0.011  -3.025  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.284  -0.405  -1.765  0.00  0.00    +0.005 A 
ENDBRANCH   9  15
ENDBRANCH   1  10
BRANCH   4  21
ATOM     21  C   LIG    1        2.766   0.314  -0.885  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        3.865  -0.068  -0.106  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        5.196   0.219  -0.487  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1        5.358   0.914  -1.701  0.00  0.00    +0.127 A 
ATOM     25  N   LIG    1        4.317   1.307  -2.466  0.00  0.00    -0.239 NA
ATOM     26  C   LIG    1        3.067   0.995  -2.056  0.00  0.00    +0.121 A 
BRANCH  23  27
ATOM     27  C   LIG    1        6.319  -0.221   0.362  0.00  0.00    +0.163 A 
ATOM     28  N   LIG    1        7.560  -0.250  -0.172  0.00  0.00    -0.236 NA
ATOM     29  C   LIG    1        8.556  -0.677   0.629  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1        8.368  -1.072   1.930  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        7.074  -1.008   2.384  0.00  0.00    +0.114 A 
ATOM     32  N   LIG    1        6.040  -0.593   1.629  0.00  0.00    -0.236 NA
ENDBRANCH  23  27
BRANCH  24  33
ATOM     33  N   LIG    1        6.615   1.344  -2.159  0.00  0.00    -0.343 N 
ATOM     34  H   LIG    1        6.956   2.061  -1.525  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1        7.266   0.563  -2.053  0.00  0.00    +0.144 HD
ENDBRANCH  24  33
ENDBRANCH   4  21
TORSDOF 5