REMARK  Name = BDB063997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.391   0.042  -0.431  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1        2.095   1.210  -1.052  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        1.216   1.455  -1.473  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        3.217   1.965  -1.142  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        3.361   3.056  -1.656  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        4.229   1.107  -0.468  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        5.505   1.491  -0.334  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        3.638  -0.074  -0.073  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        6.591   0.721   0.292  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        7.882   0.838  -0.248  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        8.940   0.135   0.358  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        8.746  -0.664   1.486  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        9.880  -1.294   1.972  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       10.911  -0.976   1.223  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        7.451  -0.760   2.029  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       10.604   0.079  -0.089  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        6.391  -0.064   1.431  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1        1.469  -0.941  -0.250  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1        1.860  -1.800   0.123  0.00  0.00    +0.155 HD
BRANCH  18  23
ATOM     20  C   LIG    1       -2.730  -0.704   0.265  0.00  0.00    -0.047 A 
ATOM     21  C   LIG    1       -2.109  -1.893  -0.125  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -0.720  -1.951  -0.274  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        0.083  -0.826  -0.039  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1       -0.547   0.363   0.342  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -1.937   0.426   0.494  0.00  0.00    +0.005 A 
BRANCH  20  26
ATOM     26  C   LIG    1       -4.230  -0.631   0.412  0.00  0.00    +0.035 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.899  -0.163  -0.883  0.00  0.00    +0.005 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -6.430  -0.187  -0.816  0.00  0.00    +0.000 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -7.005   0.808   0.196  0.00  0.00    -0.000 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -9.270  -0.333   0.482  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1       -8.528   0.941   0.110  0.00  0.00    -0.003 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  20  26
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 8