REMARK  Name = BDB061614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.134  -2.368  -2.693  0.00  0.00    +0.184 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.356  -1.569  -2.309  0.00  0.00    -0.025 A 
ATOM      3  C   LIG    1       -1.413  -0.192  -2.555  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.535   0.566  -2.182  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -2.565   2.029  -2.516  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -3.585  -0.066  -1.497  0.00  0.00    +0.128 A 
ATOM      7  C   LIG    1       -3.574  -1.458  -1.298  0.00  0.00    -0.008 A 
ATOM      8  C   LIG    1       -4.719  -2.179  -0.647  0.00  0.00    +0.047 C 
ATOM      9  C   LIG    1       -2.441  -2.191  -1.678  0.00  0.00    +0.012 A 
BRANCH   6  10
ATOM     10  O   LIG    1       -4.679   0.652  -1.097  0.00  0.00    -0.475 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -4.623   1.292   0.202  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -3.393   0.983   1.075  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -5.894   0.848   0.943  0.00  0.00    +0.067 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -4.757   2.812  -0.007  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -5.038   3.402  -1.039  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -4.577   3.535   1.122  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -4.716   4.459   0.824  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  21
ATOM     18  N   LIG    1        2.394  -1.933  -0.145  0.00  0.00    -0.250 N 
ATOM     19  C   LIG    1        1.825  -1.514  -1.338  0.00  0.00    +0.351 A 
ATOM     20  O   LIG    1        2.095  -0.549  -2.038  0.00  0.00    -0.244 OA
ATOM     21  N   LIG    1        0.818  -2.450  -1.611  0.00  0.00    -0.208 N 
ATOM     22  N   LIG    1        0.744  -3.389  -0.614  0.00  0.00    -0.157 NA
ATOM     23  C   LIG    1        1.688  -3.034   0.200  0.00  0.00    +0.230 A 
BRANCH  18  27
ATOM     24  C   LIG    1        5.612  -0.142   1.999  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1        5.165   0.412   0.806  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        4.105  -0.181   0.101  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1        3.463  -1.336   0.568  0.00  0.00    +0.053 A 
ATOM     28  C   LIG    1        3.924  -1.879   1.776  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1        4.982  -1.287   2.480  0.00  0.00    +0.047 A 
BRANCH  24  30
ATOM     30  O   LIG    1        6.622   0.326   2.788  0.00  0.00    -0.492 OA
BRANCH  30  32
ATOM     31  C   LIG    1        6.796   2.745   2.749  0.00  0.00    +0.048 C 
ATOM     32  C   LIG    1        7.410   1.422   2.325  0.00  0.00    +0.225 C 
ENDBRANCH  30  32
ENDBRANCH  24  30
ENDBRANCH  18  27
ENDBRANCH   1  21
TORSDOF 9