REMARK  Name = BDB022921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.829  -1.721  -2.316  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -1.190  -0.654  -1.272  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -1.133  -1.190   0.097  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -2.200  -1.700   0.822  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -2.006  -2.532   1.717  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.207  -1.558   0.580  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.314  -0.630   0.125  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        1.074   0.354  -0.816  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        2.158   1.135  -1.144  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        3.385   0.960  -0.624  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.533  -0.023   0.272  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        2.540  -0.833   0.659  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -0.288   0.588  -1.389  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -3.635  -1.216   0.582  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1       -3.819   0.315   0.691  0.00  0.00    +0.018 C 
ATOM     16  C   LIG    1       -5.303   0.689   0.449  0.00  0.00    +0.088 C 
ATOM     17  N   LIG    1       -5.992  -0.101  -0.583  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -6.978   0.698  -1.304  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -5.090  -0.807  -1.482  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -4.264  -1.816  -0.684  0.00  0.00    +0.028 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -3.231   0.863   1.980  0.00  0.00    -0.006 C 
ATOM     22  C   LIG    1       -3.848   1.987   2.779  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -3.858   0.584   3.323  0.00  0.00    +0.004 C 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  24
ATOM     24  N   LIG    1        4.762  -0.270   0.867  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1        4.666  -1.200   1.264  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1        5.936  -0.062   0.022  0.00  0.00    +0.077 C 
ATOM     27  C   LIG    1        7.079  -0.935   0.545  0.00  0.00    +0.050 C 
ATOM     28  C   LIG    1        8.342  -0.730  -0.286  0.00  0.00    +0.161 C 
ATOM     29  O   LIG    1        8.428   0.566  -0.877  0.00  0.00    -0.380 OA
ATOM     30  C   LIG    1        7.872   1.581  -0.050  0.00  0.00    +0.161 C 
ATOM     31  C   LIG    1        6.360   1.415   0.032  0.00  0.00    +0.050 C 
ENDBRANCH  24  26
ENDBRANCH  11  24
TORSDOF 4