REMARK  Name = BDB051154
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.257   0.086  -1.127  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -2.517  -1.170  -0.577  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -3.311  -1.300   0.566  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -3.856  -0.166   1.180  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1       -3.599   1.093   0.620  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.803   1.218  -0.525  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -1.467   0.068  -2.243  0.00  0.00    -0.490 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -1.155   1.334  -2.838  0.00  0.00    +0.247 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -0.221   1.084  -4.026  0.00  0.00    +0.145 C 
BRANCH   9  11
ATOM     10  C   LIG    1        2.015   1.370  -3.034  0.00  0.00    +0.213 C 
ATOM     11  N   LIG    1        1.065   0.551  -3.608  0.00  0.00    -0.312 N 
ATOM     12  H   LIG    1        1.098  -0.438  -3.395  0.00  0.00    +0.149 HD
ATOM     13  O   LIG    1        1.907   2.591  -2.994  0.00  0.00    -0.276 OA
BRANCH  10  14
ATOM     14  C   LIG    1        3.214   0.609  -2.502  0.00  0.00    +0.096 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.046   1.411  -1.501  0.00  0.00    +0.009 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.328   1.746  -0.187  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.780   0.551   0.600  0.00  0.00    +0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.804  -0.529   0.964  0.00  0.00    -0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.943  -0.008   1.844  0.00  0.00    -0.000 C 
BRANCH  19  21
ATOM     20  C   LIG    1        6.634  -1.830   1.268  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1        5.858  -1.119   2.366  0.00  0.00    -0.003 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -4.730  -0.295   2.406  0.00  0.00    +0.083 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -6.146  -0.661   2.090  0.00  0.00    +0.058 A 
ATOM     24  C   LIG    1       -6.768  -1.842   2.240  0.00  0.00    +0.204 A 
ATOM     25  N   LIG    1       -8.079  -1.839   1.887  0.00  0.00    -0.287 N 
ATOM     26  H   LIG    1       -8.657  -2.663   1.947  0.00  0.00    +0.172 HD
ATOM     27  C   LIG    1       -8.589  -0.648   1.440  0.00  0.00    +0.291 A 
ATOM     28  O   LIG    1       -9.729  -0.422   1.077  0.00  0.00    -0.260 OA
ATOM     29  S   LIG    1       -7.282   0.542   1.488  0.00  0.00    -0.028 S 
BRANCH  24  30
ATOM     30  O   LIG    1       -6.270  -3.021   2.690  0.00  0.00    -0.493 OA
ATOM     31  H   LIG    1       -5.328  -2.909   2.896  0.00  0.00    +0.294 HD
ENDBRANCH  24  30
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 14