REMARK  Name = BDB022924
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.374  -0.482  -2.607  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.035   0.269  -1.331  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -0.263  -0.657  -0.206  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -1.494  -1.072   0.292  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -1.573  -2.047   1.044  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.926  -1.361   0.301  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        2.197  -0.537   0.283  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        2.228   0.709  -0.315  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        3.438   1.360  -0.257  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        4.540   0.836   0.309  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        4.426  -0.378   0.858  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        3.292  -1.090   0.854  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        1.011   1.325  -0.931  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -2.759  -0.290  -0.103  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1       -3.809  -0.339   1.048  0.00  0.00    +0.018 C 
ATOM     16  C   LIG    1       -4.662  -1.626   0.993  0.00  0.00    +0.088 C 
ATOM     17  N   LIG    1       -5.215  -1.877  -0.345  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -6.091  -3.050  -0.313  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -4.125  -2.086  -1.301  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -3.288  -0.818  -1.442  0.00  0.00    +0.028 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.690   0.939   1.226  0.00  0.00    -0.002 C 
ATOM     22  C   LIG    1       -5.743   1.213   0.140  0.00  0.00    +0.032 C 
ATOM     23  C   LIG    1       -6.184   2.677   0.114  0.00  0.00    +0.160 C 
ATOM     24  O   LIG    1       -6.123   3.245   1.417  0.00  0.00    -0.380 OA
ATOM     25  C   LIG    1       -4.786   3.366   1.904  0.00  0.00    +0.160 C 
ATOM     26  C   LIG    1       -3.873   2.215   1.473  0.00  0.00    +0.032 C 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  27
ATOM     27  N   LIG    1        5.498  -0.995   1.465  0.00  0.00    -0.310 N 
ATOM     28  H   LIG    1        5.260  -1.977   1.549  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        6.875  -0.710   1.079  0.00  0.00    +0.077 C 
ATOM     30  C   LIG    1        7.358   0.654   1.565  0.00  0.00    +0.050 C 
ATOM     31  C   LIG    1        8.842   0.831   1.250  0.00  0.00    +0.161 C 
ATOM     32  O   LIG    1        9.281   0.075   0.118  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1        8.286  -0.029  -0.894  0.00  0.00    +0.161 C 
ATOM     34  C   LIG    1        7.151  -0.925  -0.413  0.00  0.00    +0.050 C 
ENDBRANCH  27  29
ENDBRANCH  11  27
TORSDOF 4