REMARK  Name = BDB003182
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.404   0.331   0.882  0.00  0.00    +0.000 C 
ATOM      2  C   LIG    1        1.020   0.105   1.482  0.00  0.00    +0.025 C 
ATOM      3  C   LIG    1        2.122   0.319   0.443  0.00  0.00    +0.085 C 
ATOM      4  N   LIG    1        2.037  -0.659  -0.657  0.00  0.00    -0.298 NA
ATOM      5  C   LIG    1        0.656  -1.029  -1.000  0.00  0.00    +0.085 C 
ATOM      6  C   LIG    1       -0.362   0.053  -0.645  0.00  0.00    +0.025 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -1.366  -0.640   1.641  0.00  0.00    +0.044 C 
BRANCH   7  11
ATOM      8  C   LIG    1       -5.566  -0.570   0.571  0.00  0.00    +0.120 A 
ATOM      9  C   LIG    1       -4.701  -1.479  -0.037  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -3.345  -1.502   0.311  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -2.831  -0.611   1.262  0.00  0.00    -0.047 A 
ATOM     12  C   LIG    1       -3.710   0.287   1.878  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -5.062   0.309   1.530  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -7.471  -1.341  -0.623  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -6.905  -0.443   0.323  0.00  0.00    -0.495 OA
ENDBRANCH   8  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  C   LIG    1        2.790  -0.221  -1.842  0.00  0.00    +0.122 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.250  -0.147  -1.548  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        5.074   0.962  -1.553  0.00  0.00    +0.112 A 
ATOM     19  N   LIG    1        6.323   0.514  -1.233  0.00  0.00    -0.274 N 
ATOM     20  C   LIG    1        7.523   1.303  -1.106  0.00  0.00    +0.172 C 
ATOM     21  N   LIG    1        6.380  -0.813  -1.032  0.00  0.00    -0.180 NA
ATOM     22  C   LIG    1        5.119  -1.212  -1.213  0.00  0.00    +0.139 A 
ENDBRANCH  16  17
ENDBRANCH   4  16
BRANCH   1  23
ATOM     23  C   LIG    1       -0.821   1.809   1.080  0.00  0.00    +0.163 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -0.909   2.143   2.460  0.00  0.00    -0.394 OA
ATOM     25  H   LIG    1       -1.182   3.076   2.509  0.00  0.00    +0.209 HD
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7