REMARK  Name = BDB063985
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.355  -4.314  -0.292  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.090  -3.133  -0.196  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -1.006  -1.978   0.010  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.327  -2.140   0.153  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.270  -0.813   0.036  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.961  -1.196  -0.123  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1        1.125  -2.532  -0.254  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        1.975  -3.033  -0.434  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -3.323  -1.080   0.376  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -3.218   0.183  -0.228  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -4.227   1.135   0.005  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -5.336   0.857   0.807  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -6.247   1.892   0.944  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       -5.833   2.931   0.258  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -5.440  -0.419   1.392  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -4.355   2.750  -0.586  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1       -4.439  -1.373   1.167  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1        2.004  -0.332  -0.164  0.00  0.00    -0.313 N 
ATOM     19  H   LIG    1        1.711   0.614   0.069  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.341  -0.653   0.280  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.233   0.547   0.105  0.00  0.00    -0.027 A 
ATOM     22  C   LIG    1        4.629   0.960  -1.171  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        5.441   2.077  -1.288  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1        5.876   2.800  -0.235  0.00  0.00    -0.263 NA
ATOM     25  C   LIG    1        5.477   2.393   0.988  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1        4.666   1.290   1.208  0.00  0.00    +0.025 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4