REMARK  Name = BDB064005
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.982  -0.991  -0.387  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1       -1.671  -2.058   0.389  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.774  -2.507   0.453  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1       -2.793  -2.511   0.999  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1       -2.921  -3.452   1.754  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -3.827  -1.565   0.498  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1       -5.104  -1.640   0.893  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1       -3.243  -0.666  -0.370  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -6.204  -0.755   0.477  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -7.197  -0.446   1.421  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -8.275   0.371   1.033  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -8.392   0.872  -0.265  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -9.506   1.661  -0.501  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1      -10.216   1.754   0.600  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -7.399   0.541  -1.207  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -9.615   0.920   1.968  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1       -6.322  -0.272  -0.828  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.058  -0.355  -1.156  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1       -1.456   0.358  -1.758  0.00  0.00    +0.155 HD
BRANCH  18  23
ATOM     20  C   LIG    1        3.144   0.157  -0.562  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        2.294  -0.169   0.505  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        0.909  -0.332   0.338  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        0.312  -0.167  -0.911  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        1.144   0.159  -1.984  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        2.528   0.319  -1.810  0.00  0.00    +0.025 A 
BRANCH  20  30
ATOM     26  C   LIG    1        8.303   1.170   0.965  0.00  0.00    +0.105 C 
ATOM     27  N   LIG    1        7.482   0.573  -0.085  0.00  0.00    -0.302 NA
ATOM     28  C   LIG    1        6.611   1.594  -0.706  0.00  0.00    +0.103 C 
ATOM     29  C   LIG    1        5.342   1.020  -1.377  0.00  0.00    +0.120 C 
ATOM     30  N   LIG    1        4.507   0.315  -0.388  0.00  0.00    -0.327 N 
ATOM     31  C   LIG    1        5.216  -0.277   0.759  0.00  0.00    +0.120 C 
ATOM     32  C   LIG    1        6.695  -0.573   0.416  0.00  0.00    +0.103 C 
ENDBRANCH  20  30
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 4