REMARK  Name = BDB057637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.478   1.221   1.032  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -2.759   0.675   0.857  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -3.682   1.277  -0.011  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -3.292   2.458  -0.663  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1       -4.188   3.104  -1.513  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -3.923   3.956  -1.989  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -5.457   2.670  -1.750  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1       -5.902   1.422  -1.051  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -7.336   1.075  -1.350  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1       -8.063  -0.123  -0.199  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1       -6.669  -1.267  -0.144  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -5.424  -0.574   0.406  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1       -6.196   3.279  -2.518  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -2.024   3.019  -0.474  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -5.047   0.738  -0.255  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -1.116   2.401   0.381  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  21
ATOM     17  N   LIG    1        2.017  -2.248   1.073  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1        1.095  -1.648   0.089  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1       -0.342  -1.530   0.649  0.00  0.00    +0.123 C 
ATOM     20  N   LIG    1       -0.341  -0.791   1.919  0.00  0.00    -0.295 N 
ATOM     21  C   LIG    1       -0.511   0.594   1.966  0.00  0.00    +0.247 C 
ATOM     22  O   LIG    1        0.077   1.325   2.758  0.00  0.00    -0.270 OA
ATOM     23  C   LIG    1        0.564  -1.385   2.906  0.00  0.00    +0.123 C 
ATOM     24  C   LIG    1        1.997  -1.490   2.343  0.00  0.00    +0.103 C 
BRANCH  17  25
ATOM     25  C   LIG    1        3.370  -2.466   0.550  0.00  0.00    +0.084 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.172  -1.218   0.149  0.00  0.00    +0.015 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.556  -1.607  -0.383  0.00  0.00    +0.001 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.450  -0.403  -0.693  0.00  0.00    -0.000 C 
BRANCH  28  30
ATOM     29  C   LIG    1        6.914   1.569  -2.192  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1        5.934   0.457  -1.847  0.00  0.00    -0.003 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  17  25
ENDBRANCH   1  21
TORSDOF 6