REMARK  Name = BDB014001
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.339  -0.094   1.010  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.176  -0.982   0.516  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.415  -2.043  -0.074  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.128  -0.550   0.787  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.412   0.722   1.379  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.762   1.889   0.925  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.045   3.125   1.527  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.971   3.213   2.563  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.624   2.068   3.006  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.199   1.835  -0.232  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.348   0.832   2.417  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.509   1.157   0.145  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.686  -0.544   1.731  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.567  -0.884   1.004  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.704  -1.549   0.246  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.708   0.382   2.536  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.884  -1.482   1.462  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        6.160  -1.000   2.147  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.456  -0.554  -0.750  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.043  -1.733   0.005  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.753  -2.456  -0.117  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -2.240  -1.469   0.494  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.289  -0.896  -0.454  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1       -3.084  -0.774  -1.863  0.00  0.00    -0.012 A 
ATOM     25  C   LIG    1       -4.102  -0.193  -2.674  0.00  0.00    -0.004 A 
ATOM     26  C   LIG    1       -3.879  -0.073  -4.073  0.00  0.00    +0.026 A 
ATOM     27  C   LIG    1       -2.697  -0.521  -4.667  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1       -1.713  -1.100  -3.884  0.00  0.00    +0.002 A 
ATOM     29 BR   LIG    1       -5.161   0.696  -5.260  0.00  0.00    -0.050 Br
ATOM     30  C   LIG    1       -5.296   0.232  -2.046  0.00  0.00    +0.009 A 
ATOM     31  C   LIG    1       -5.499   0.091  -0.677  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -1.906  -1.220  -2.507  0.00  0.00    +0.009 A 
ATOM     33  C   LIG    1       -4.506  -0.471   0.110  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5