REMARK  Name = BDB007319
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.941   1.549   1.515  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -3.145   0.831   0.659  0.00  0.00    +0.056 A 
ATOM      3  N   LIG    1       -2.983  -0.503   0.560  0.00  0.00    -0.315 N 
ATOM      4  H   LIG    1       -3.480  -1.142   1.173  0.00  0.00    +0.152 HD
ATOM      5  C   LIG    1       -2.188  -1.076  -0.435  0.00  0.00    +0.030 C 
ATOM      6  C   LIG    1       -2.120  -2.587  -0.493  0.00  0.00    +0.132 C 
ATOM      7  N   LIG    1       -0.900  -3.071  -1.138  0.00  0.00    -0.304 NA
ATOM      8  H   LIG    1       -0.945  -4.086  -1.221  0.00  0.00    +0.123 HD
ATOM      9  C   LIG    1       -0.757  -2.482  -2.475  0.00  0.00    +0.161 C 
ATOM     10  C   LIG    1       -0.748  -0.960  -2.411  0.00  0.00    +0.175 C 
ATOM     11  O   LIG    1       -0.212  -0.288  -3.292  0.00  0.00    -0.291 OA
ATOM     12  C   LIG    1       -1.490  -0.301  -1.302  0.00  0.00    +0.026 C 
ATOM     13  C   LIG    1       -1.482   1.216  -1.239  0.00  0.00    +0.087 C 
ATOM     14  C   LIG    1       -2.449   1.719  -0.195  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -2.866   2.990   0.144  0.00  0.00    +0.089 A 
ATOM     16  N   LIG    1       -3.755   2.877   1.188  0.00  0.00    -0.363 N 
ATOM     17  H   LIG    1       -4.206   3.657   1.648  0.00  0.00    +0.165 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1       -0.123   1.781  -0.834  0.00  0.00    -0.034 A 
ATOM     19  C   LIG    1        0.505   1.415   0.372  0.00  0.00    +0.019 A 
ATOM     20  C   LIG    1        1.776   1.900   0.699  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1        2.422   2.783  -0.170  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        1.810   3.163  -1.364  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        0.551   2.661  -1.696  0.00  0.00    +0.004 A 
BRANCH  20  24
ATOM     24  S   LIG    1        2.569   1.358   2.200  0.00  0.00    -0.052 S 
BRANCH  24  25
ATOM     25  C   LIG    1        3.682   0.206   1.542  0.00  0.00    +0.172 A 
ATOM     26  N   LIG    1        3.343  -0.633   0.518  0.00  0.00    -0.333 N 
ATOM     27  H   LIG    1        2.454  -0.651   0.041  0.00  0.00    +0.168 HD
ATOM     28  C   LIG    1        4.428  -1.427   0.248  0.00  0.00    +0.067 A 
ATOM     29  C   LIG    1        5.386  -1.018   1.170  0.00  0.00    +0.090 A 
ATOM     30  C   LIG    1        6.642  -1.641   1.172  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1        6.889  -2.658   0.240  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        5.906  -3.046  -0.674  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        4.646  -2.437  -0.692  0.00  0.00    +0.028 A 
ATOM     34  N   LIG    1        4.904  -0.009   1.970  0.00  0.00    -0.222 NA
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  13  18
BRANCH   1  36
ATOM     35  C   LIG    1       -6.248   0.804   2.078  0.00  0.00    +0.010 C 
ATOM     36  C   LIG    1       -4.861   1.129   2.609  0.00  0.00    +0.052 C 
ENDBRANCH   1  36
TORSDOF 4