REMARK  Name = BDB047008
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.621  -1.004   0.650  0.00  0.00    -0.294 N 
ATOM      2  C   LIG    1        0.927   0.201   0.535  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1        1.292   1.253   1.061  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1       -0.441   0.160  -0.142  0.00  0.00    +0.089 C 
ATOM      5  C   LIG    1       -0.500  -0.843  -1.292  0.00  0.00    +0.015 C 
ATOM      6  C   LIG    1        0.009  -2.199  -0.847  0.00  0.00    +0.020 C 
ATOM      7  C   LIG    1        1.438  -2.049  -0.360  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1        2.898  -1.064   1.397  0.00  0.00    +0.103 C 
ATOM      9  C   LIG    1        2.848  -0.448   2.802  0.00  0.00    +0.033 C 
BRANCH   8  13
ATOM     10  C   LIG    1        6.308   0.202  -0.992  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        5.467   1.154  -0.420  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        4.370   0.754   0.354  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        4.093  -0.603   0.573  0.00  0.00    -0.027 A 
ATOM     14  C   LIG    1        4.946  -1.552  -0.011  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        6.041  -1.151  -0.782  0.00  0.00    +0.046 A 
BRANCH  10  17
ATOM     16  C   LIG    1        7.717   1.823  -2.006  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        7.407   0.457  -1.765  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   8  13
ENDBRANCH   1   8
BRANCH   4  18
ATOM     18  C   LIG    1       -1.482  -0.086   0.969  0.00  0.00    +0.094 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.873  -0.204   0.513  0.00  0.00    -0.310 NA
ATOM     20  H   LIG    1       -3.448  -0.513   1.296  0.00  0.00    +0.122 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.406   1.072   0.012  0.00  0.00    +0.136 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.863   0.967  -0.406  0.00  0.00    +0.056 A 
ATOM     23  N   LIG    1       -5.143   1.008  -1.734  0.00  0.00    -0.259 NA
ATOM     24  C   LIG    1       -6.435   0.900  -2.112  0.00  0.00    +0.112 A 
ATOM     25  C   LIG    1       -7.485   0.756  -1.227  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1       -7.186   0.721   0.133  0.00  0.00    +0.062 A 
ATOM     27  C   LIG    1       -5.859   0.828   0.554  0.00  0.00    +0.039 A 
BRANCH  26  28
ATOM     28  C   LIG    1       -8.236   0.569   1.164  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -8.050   0.522   2.365  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -9.472   0.483   0.641  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1      -10.055   0.388   1.424  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  26  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 9