REMARK  Name = BDB022040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.701  -0.289  -0.900  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1        0.231   0.426  -0.163  0.00  0.00    -0.285 N 
ATOM      3  H   LIG    1       -0.125   1.177   0.415  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.459  -1.209  -1.674  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -6.145  -0.781   0.573  0.00  0.00    +0.218 C 
ATOM      6  N   LIG    1       -4.853  -0.639   0.068  0.00  0.00    -0.301 N 
ATOM      7  C   LIG    1       -4.553  -0.152  -1.277  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1       -3.106  -0.402  -1.680  0.00  0.00    +0.032 C 
ATOM      9  C   LIG    1       -2.131   0.206  -0.661  0.00  0.00    +0.078 C 
ATOM     10  C   LIG    1       -2.573  -0.050   0.793  0.00  0.00    +0.032 C 
ATOM     11  C   LIG    1       -3.722  -1.048   0.898  0.00  0.00    +0.108 C 
ATOM     12  O   LIG    1       -6.357  -1.280   1.678  0.00  0.00    -0.276 OA
BRANCH   5  13
ATOM     13  C   LIG    1       -7.282  -0.343  -0.341  0.00  0.00    +0.124 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -8.607  -0.188   0.401  0.00  0.00    +0.168 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -9.302   2.070   0.096  0.00  0.00    +0.194 C 
ATOM     16  O   LIG    1       -8.720   1.118   0.977  0.00  0.00    -0.382 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   5  13
ENDBRANCH   1   9
BRANCH   2  17
ATOM     17  C   LIG    1        1.628   0.237  -0.126  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        2.305  -0.747  -0.844  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        3.698  -0.868  -0.746  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        4.441  -0.006   0.068  0.00  0.00    -0.002 A 
ATOM     21  C   LIG    1        3.759   0.978   0.791  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        2.367   1.097   0.695  0.00  0.00    +0.024 A 
BRANCH  20  23
ATOM     23  C   LIG    1        5.895  -0.145   0.160  0.00  0.00    +0.047 A 
ATOM     24  N   LIG    1        6.750   0.930   0.267  0.00  0.00    -0.354 N 
ATOM     25  H   LIG    1        6.459   1.896   0.277  0.00  0.00    +0.166 HD
ATOM     26  C   LIG    1        8.061   0.518   0.328  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        8.054  -0.872   0.248  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        9.282  -1.561   0.286  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1       10.471  -0.832   0.403  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       10.448   0.559   0.479  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        9.240   1.263   0.442  0.00  0.00    +0.026 A 
ATOM     32  C   LIG    1        6.695  -1.275   0.136  0.00  0.00    +0.036 A 
ENDBRANCH  20  23
ENDBRANCH   2  17
TORSDOF 6