REMARK  Name = BDB022950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.824   2.478  -0.334  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -0.450   2.627  -0.497  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1        0.229   3.654   0.335  0.00  0.00    +0.078 C 
ATOM      4  C   LIG    1       -0.160   5.069  -0.114  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        1.773   3.552   0.353  0.00  0.00    +0.060 C 
ATOM      6  C   LIG    1        2.222   2.132   0.410  0.00  0.00    -0.005 A 
ATOM      7  C   LIG    1        1.564   1.188  -0.349  0.00  0.00    +0.067 A 
ATOM      8  N   LIG    1        1.940  -0.106  -0.396  0.00  0.00    -0.218 NA
ATOM      9  C   LIG    1        2.985  -0.466   0.360  0.00  0.00    +0.216 A 
ATOM     10  N   LIG    1        3.686   0.384   1.123  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.296   1.672   1.128  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        0.398   1.646  -1.196  0.00  0.00    +0.163 C 
ATOM     13  O   LIG    1       -2.431   3.095   0.549  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -3.390   0.515  -0.546  0.00  0.00    +0.045 C 
ATOM     15  C   LIG    1       -2.613   1.607  -1.315  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -3.578   2.538  -2.074  0.00  0.00    +0.029 C 
ATOM     17  C   LIG    1       -4.578   1.756  -2.922  0.00  0.00    +0.085 C 
ATOM     18  N   LIG    1       -5.336   0.752  -2.171  0.00  0.00    -0.305 NA
ATOM     19  C   LIG    1       -6.330   1.350  -1.282  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1       -4.434  -0.168  -1.462  0.00  0.00    +0.093 C 
BRANCH  14  24
ATOM     21  C   LIG    1       -0.257  -3.476  -0.817  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -0.910  -2.393  -0.010  0.00  0.00    -0.050 A 
ATOM     23  C   LIG    1       -1.797  -1.499  -0.628  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -2.443  -0.490   0.104  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -2.171  -0.386   1.477  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -1.294  -1.274   2.101  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -0.672  -2.279   1.363  0.00  0.00    +0.003 A 
ENDBRANCH  14  24
ENDBRANCH   1  15
BRANCH   9  28
ATOM     28  N   LIG    1        3.308  -1.816   0.307  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1        2.463  -2.244  -0.061  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        3.812  -2.396   1.551  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1        5.323  -2.148   1.693  0.00  0.00    +0.050 C 
ATOM     32  C   LIG    1        6.040  -3.315   2.359  0.00  0.00    +0.161 C 
ATOM     33  O   LIG    1        5.205  -3.892   3.356  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        4.075  -4.565   2.802  0.00  0.00    +0.161 C 
ATOM     35  C   LIG    1        3.530  -3.900   1.542  0.00  0.00    +0.050 C 
ENDBRANCH  28  30
ENDBRANCH   9  28
TORSDOF 4