REMARK  Name = BDB063969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.373   1.308   0.256  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.591   2.632   0.101  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.460   3.116   0.230  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.601   3.255  -0.077  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.825   4.441  -0.210  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.560   2.116  -0.057  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.876   2.296  -0.220  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.869   0.944   0.170  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.919   1.256  -0.206  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.693  -0.042  -0.691  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.750  -0.970  -0.675  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.021  -0.635  -0.205  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.962  -1.651  -0.253  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.408  -2.734  -0.748  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.243   0.674   0.264  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        4.759  -2.615  -1.190  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.194   1.604   0.254  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.400   0.454   0.497  0.00  0.00    -0.308 N 
ATOM     19  H   LIG    1       -1.035  -0.494   0.609  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.567   0.390  -0.387  0.00  0.00    +0.129 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.783  -0.049   0.414  0.00  0.00    -0.025 A 
ATOM     22  C   LIG    1       -3.838  -1.296   1.058  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.969  -1.678   1.784  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.060  -0.819   1.881  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.021   0.424   1.255  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.892   0.808   0.528  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1       -2.267  -0.530  -1.597  0.00  0.00    +0.186 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -1.340  -2.599  -2.266  0.00  0.00    +0.194 C 
ATOM     29  O   LIG    1       -1.671  -1.763  -1.164  0.00  0.00    -0.381 OA
ENDBRANCH  27  29
ENDBRANCH  20  27
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6