REMARK  Name = BDB004115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.087   2.719  -1.947  0.00  0.00    +0.155 C 
ATOM      2  N   LIG    1       -2.813   1.694  -1.234  0.00  0.00    -0.278 N 
ATOM      3  C   LIG    1       -4.183   1.651  -1.159  0.00  0.00    +0.347 A 
ATOM      4  O   LIG    1       -4.982   2.461  -1.601  0.00  0.00    -0.245 OA
ATOM      5  N   LIG    1       -4.480   0.473  -0.471  0.00  0.00    -0.201 N 
ATOM      6  N   LIG    1       -3.321  -0.169  -0.097  0.00  0.00    -0.148 NA
ATOM      7  C   LIG    1       -2.372   0.595  -0.562  0.00  0.00    +0.165 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -5.802   0.100  -0.008  0.00  0.00    +0.198 C 
ATOM      9  C   LIG    1       -6.122   0.892   1.272  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1       -5.326   1.603   1.882  0.00  0.00    -0.273 OA
ATOM     11  N   LIG    1       -7.441   0.863   1.665  0.00  0.00    -0.255 N 
ATOM     12  H   LIG    1       -7.616   1.677   2.247  0.00  0.00    +0.158 HD
ATOM     13  C   LIG    1       -7.941  -0.175   2.399  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1       -8.597   0.074   3.411  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -7.607  -1.600   2.026  0.00  0.00    +0.096 C 
ATOM     16  C   LIG    1       -7.346  -1.851   0.551  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -5.944  -1.412   0.143  0.00  0.00    +0.037 C 
ENDBRANCH   5   8
BRANCH   7  18
ATOM     18  C   LIG    1       -0.945   0.290  -0.390  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1       -0.503  -1.010  -0.650  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        0.845  -1.333  -0.484  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        1.757  -0.366  -0.038  0.00  0.00    -0.047 A 
ATOM     22  C   LIG    1        1.300   0.930   0.237  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -0.048   1.257   0.071  0.00  0.00    +0.012 A 
BRANCH  21  24
ATOM     24  C   LIG    1        3.215  -0.714   0.128  0.00  0.00    +0.046 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.999  -0.459  -1.151  0.00  0.00    +0.125 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.441  -0.832  -0.944  0.00  0.00    +0.308 C 
ATOM     27  O   LIG    1        5.901  -1.932  -1.211  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1        6.116   0.212  -0.396  0.00  0.00    -0.459 OA
BRANCH  28  29
ATOM     29  C   LIG    1        7.526   0.096  -0.071  0.00  0.00    +0.105 C 
ATOM     30  C   LIG    1        8.368  -0.152  -1.327  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        7.905   1.465   0.513  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        7.762  -0.976   0.999  0.00  0.00    +0.055 C 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   7  18
TORSDOF 7