REMARK  Name = BDB000515
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.090  -0.721  -0.050  0.00  0.00    +0.030 C 
ATOM      2  C   LIG    1       -3.761  -0.036   0.143  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -2.759  -0.973   0.424  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.434  -0.593   0.599  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -1.110   0.761   0.501  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.118   1.698   0.213  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.316  -2.363   0.448  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -3.447   1.306   0.025  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.810  -2.076   0.643  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -6.280   0.022   0.555  0.00  0.00    +0.128 C 
BRANCH  10  12
ATOM     11  O   LIG    1       -7.772  -1.617  -0.478  0.00  0.00    -0.251 OA
ATOM     12  C   LIG    1       -7.579  -0.680   0.277  0.00  0.00    +0.305 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -8.602  -0.135   0.965  0.00  0.00    -0.481 OA
ATOM     14  H   LIG    1       -9.383  -0.661   0.693  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  15
ATOM     15  O   LIG    1        0.135   1.309   0.644  0.00  0.00    -0.492 OA
BRANCH  15  16
ATOM     16  C   LIG    1        1.230   0.461   0.988  0.00  0.00    +0.232 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.867  -0.166  -0.254  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.423   0.882  -1.218  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        3.451   1.664  -0.608  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.744   1.215  -0.646  0.00  0.00    +0.124 A 
ATOM     21  C   LIG    1        5.170  -0.006  -1.176  0.00  0.00    +0.095 A 
ATOM     22  C   LIG    1        6.539  -0.265  -1.101  0.00  0.00    +0.171 A 
ATOM     23  C   LIG    1        7.473   0.592  -0.549  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1        8.691  -0.099  -0.706  0.00  0.00    +0.165 A 
ATOM     25  N   LIG    1        8.531  -1.285  -1.302  0.00  0.00    -0.085 NA
ATOM     26  C   LIG    1        7.040   1.815  -0.018  0.00  0.00    +0.017 A 
ATOM     27  O   LIG    1        7.168  -1.386  -1.551  0.00  0.00    -0.355 OA
ATOM     28  C   LIG    1        5.668   2.105  -0.076  0.00  0.00    +0.046 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 9