REMARK  Name = BDB063700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.827   1.523  -0.815  0.00  0.00    -0.295 N 
ATOM      2  H   LIG    1       -0.934   0.670  -1.352  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.444   1.999  -0.555  0.00  0.00    +0.280 C 
ATOM      4  O   LIG    1        0.608   3.010   0.125  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -5.438  -0.334  -0.282  0.00  0.00    -0.010 C 
ATOM      6  C   LIG    1       -5.132  -0.052  -1.752  0.00  0.00    +0.108 C 
ATOM      7  S   LIG    1       -3.414   0.465  -2.092  0.00  0.00    -0.131 S 
ATOM      8  C   LIG    1       -3.416   1.704  -0.770  0.00  0.00    +0.169 C 
ATOM      9  N   LIG    1       -3.636   1.010   0.471  0.00  0.00    -0.249 N 
ATOM     10  C   LIG    1       -2.538   1.443   1.124  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -2.127   1.244   2.242  0.00  0.00    -0.273 OA
ATOM     12  CA  LIG    1       -2.034   2.138  -0.194  0.00  0.00    +0.191 C 
ATOM     13  CA  LIG    1       -4.663   0.154   0.722  0.00  0.00    +0.126 C 
BRANCH   5  15
ATOM     14  C   LIG    1       -7.535  -1.566  -0.918  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -6.608  -1.185  -0.028  0.00  0.00    -0.001 C 
ENDBRANCH   5  15
BRANCH  13  16
ATOM     16  C   LIG    1       -4.880  -0.215   2.149  0.00  0.00    +0.352 C 
ATOM     17  O   LIG    1       -4.935  -1.339   2.615  0.00  0.00    -0.244 OA
BRANCH  16  18
ATOM     18  OXT LIG    1       -5.051   0.885   2.906  0.00  0.00    -0.476 OA
ATOM     19  HXT LIG    1       -5.079   0.541   3.823  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   1  12
BRANCH   3  20
ATOM     20  C   LIG    1        1.526   1.236  -1.149  0.00  0.00    +0.190 A 
ATOM     21  O   LIG    1        2.808   1.670  -0.924  0.00  0.00    -0.452 OA
ATOM     22  C   LIG    1        3.658   0.813  -1.554  0.00  0.00    +0.143 A 
ATOM     23  C   LIG    1        2.939  -0.169  -2.200  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        1.572   0.100  -1.940  0.00  0.00    +0.055 A 
BRANCH  22  25
ATOM     25  C   LIG    1        5.108   1.105  -1.417  0.00  0.00    +0.303 C 
BRANCH  25  26
ATOM     26  O   LIG    1        5.812  -0.118  -1.185  0.00  0.00    -0.484 OA
BRANCH  26  27
ATOM     27  C   LIG    1        5.959  -0.547   0.105  0.00  0.00    +0.121 A 
ATOM     28  C   LIG    1        5.283  -0.051   1.222  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1        5.522  -0.596   2.489  0.00  0.00    +0.019 A 
ATOM     30  C   LIG    1        6.434  -1.639   2.637  0.00  0.00    +0.018 A 
ATOM     31 BR   LIG    1        6.754  -2.372   4.349  0.00  0.00    -0.050 Br
ATOM     32  C   LIG    1        7.107  -2.147   1.530  0.00  0.00    +0.019 A 
ATOM     33  C   LIG    1        6.864  -1.601   0.267  0.00  0.00    +0.047 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   3  20
TORSDOF 8