REMARK  Name = BDB048130
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.721   0.187  -0.632  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1       -1.198   0.836   0.448  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -2.401   0.433   0.914  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1       -3.154  -0.602   0.362  0.00  0.00    -0.028 A 
ATOM      5  C   LIG    1       -2.616  -1.259  -0.746  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.382  -0.859  -1.252  0.00  0.00    +0.067 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.508   0.528  -1.157  0.00  0.00    -0.476 OA
BRANCH   7   8
ATOM      8  C   LIG    1        1.103   1.700  -0.586  0.00  0.00    +0.237 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.872   1.393   0.700  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1        2.384  -1.925   0.407  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        3.278  -0.757   0.337  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.110   0.607   0.446  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        4.325   1.234   0.280  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        5.177   0.246   0.074  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        4.601  -0.999   0.096  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        6.616   0.303  -0.168  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        7.383  -0.853  -0.374  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        8.760  -0.767  -0.603  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        9.386   0.477  -0.629  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        8.640   1.635  -0.426  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        7.264   1.548  -0.197  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -4.492  -0.984   0.945  0.00  0.00    +0.057 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.722  -0.421   0.203  0.00  0.00    +0.097 C 
ATOM     24  C   LIG    1       -7.017  -0.636   0.991  0.00  0.00    +0.178 C 
ATOM     25  O   LIG    1       -7.888   0.474   0.730  0.00  0.00    -0.379 OA
ATOM     26  C   LIG    1       -7.178   1.444  -0.049  0.00  0.00    +0.161 C 
ATOM     27  C   LIG    1       -5.711   1.104   0.098  0.00  0.00    +0.049 C 
BRANCH  23  28
ATOM     28  C   LIG    1       -5.852  -1.064  -1.178  0.00  0.00    +0.314 C 
ATOM     29  O   LIG    1       -5.763  -0.452  -2.233  0.00  0.00    -0.250 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -6.040  -2.404  -1.172  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1       -6.122  -2.837  -0.304  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  23  28
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9