REMARK  Name = BDB063910
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.112  -0.306   0.468  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -1.443  -1.184   1.441  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -2.360  -1.429   1.765  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1       -0.307  -1.673   1.998  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1       -0.192  -2.468   2.909  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.754  -0.986   1.213  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.055  -1.187   1.456  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.166  -0.154   0.284  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.187  -0.552   0.761  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.345  -0.268   1.505  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.450   0.307   0.852  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.435   0.592  -0.515  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.596   1.156  -1.019  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.469   1.296  -0.048  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.276   0.287  -1.253  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        6.977   0.770   1.504  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.170  -0.285  -0.610  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -2.036   0.364  -0.267  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1       -1.590   0.838  -1.049  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  CA  LIG    1       -3.420  -0.059  -0.488  0.00  0.00    +0.098 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -5.751   0.051   0.558  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -4.299   0.500   0.646  0.00  0.00    +0.021 C 
ENDBRANCH  20  22
BRANCH  20  23
ATOM     23  C   LIG    1       -3.870   0.424  -1.886  0.00  0.00    +0.178 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -3.969   1.845  -1.957  0.00  0.00    -0.393 OA
ATOM     25  H   LIG    1       -3.241   2.226  -1.435  0.00  0.00    +0.209 HD
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6