REMARK  Name = BDB003079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.644  -2.836   0.027  0.00  0.00    +0.237 A 
ATOM      2  O   LIG    1       -0.059  -1.613  -0.170  0.00  0.00    -0.421 OA
ATOM      3  C   LIG    1        0.743  -1.779  -1.262  0.00  0.00    +0.225 A 
ATOM      4  C   LIG    1        0.627  -3.099  -1.644  0.00  0.00    +0.201 A 
ATOM      5  N   LIG    1       -0.251  -3.769  -0.821  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   3   6
ATOM      6  N   LIG    1        1.442  -0.710  -1.706  0.00  0.00    -0.312 N 
ATOM      7  H   LIG    1        1.872  -0.759  -2.628  0.00  0.00    +0.149 HD
BRANCH   6   8
ATOM      8  C   LIG    1        1.031   0.637  -1.311  0.00  0.00    +0.119 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.008   1.720  -1.831  0.00  0.00    +0.102 C 
BRANCH   9  10
ATOM     10  N   LIG    1        3.342   1.846  -1.216  0.00  0.00    -0.307 NA
ATOM     11  C   LIG    1        3.277   2.183   0.203  0.00  0.00    +0.104 C 
ATOM     12  C   LIG    1        4.192   0.678  -1.429  0.00  0.00    +0.104 C 
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   6   8
ENDBRANCH   3   6
BRANCH   4  13
ATOM     13  C   LIG    1        1.290  -3.742  -2.729  0.00  0.00    +0.124 C 
ATOM     14  N   LIG    1        1.844  -4.237  -3.622  0.00  0.00    -0.189 NA
ENDBRANCH   4  13
BRANCH   1  15
ATOM     15  C   LIG    1       -1.599  -2.941   1.166  0.00  0.00    +0.324 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -2.828  -2.303   0.808  0.00  0.00    -0.483 OA
BRANCH  16  20
ATOM     17  C   LIG    1       -1.425   2.136   2.600  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1       -2.447   1.201   2.022  0.00  0.00    -0.047 A 
ATOM     19  C   LIG    1       -2.102  -0.128   1.726  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1       -3.033  -0.997   1.153  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1       -4.314  -0.522   0.864  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1       -4.666   0.798   1.143  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -3.733   1.659   1.717  0.00  0.00    +0.003 A 
ENDBRANCH  16  20
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8