REMARK  Name = BDB014005
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.650  -0.248   0.819  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        1.693   0.304  -0.235  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        2.043   1.295  -0.894  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.450  -0.306  -0.414  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1        0.074  -1.599   0.114  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.436  -2.099   1.384  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -0.012  -3.392   1.768  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -0.795  -4.186   0.940  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -1.159  -3.702  -0.299  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        1.206  -1.397   2.480  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -0.732  -2.433  -0.699  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.943  -0.117   2.156  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        5.033   0.155   1.391  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        3.868   0.560   0.787  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.842   1.395   0.208  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        5.122  -0.901   2.017  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        6.231   1.108   1.177  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        7.021   0.598  -0.027  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        8.207   1.969   2.349  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        6.997   1.173   2.434  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        7.215   0.217   2.730  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -0.429   0.346  -1.413  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.875   0.547  -0.969  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1       -2.987   0.376  -1.852  0.00  0.00    -0.013 A 
ATOM     25  C   LIG    1       -4.311   0.587  -1.362  0.00  0.00    -0.014 A 
ATOM     26  C   LIG    1       -5.445   0.413  -2.214  0.00  0.00    -0.037 A 
ATOM     27  C   LIG    1       -5.225   0.002  -3.540  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -3.946  -0.191  -4.037  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.470   0.971  -0.015  0.00  0.00    +0.009 A 
ATOM     30  C   LIG    1       -3.384   1.177   0.829  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -2.846   0.003  -3.207  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1       -2.099   0.980   0.352  0.00  0.00    +0.006 A 
BRANCH  26  33
ATOM     33  C   LIG    1       -6.877   0.620  -1.735  0.00  0.00    +0.020 C 
ATOM     34  C   LIG    1       -7.363   2.012  -1.395  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -7.897   1.320  -2.608  0.00  0.00    +0.009 C 
ENDBRANCH  26  33
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6