REMARK  Name = BDB059201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.331   2.767   0.791  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -0.558   1.813   0.492  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1       -0.166   0.809  -0.328  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1        1.118   0.739  -0.840  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1        1.968   1.767  -0.464  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        1.584   2.793   0.329  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.229  -0.184  -0.589  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.899  -0.790   0.492  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -2.914  -1.727   0.286  0.00  0.00    +0.166 A 
ATOM     10  C   LIG    1       -3.249  -2.083  -1.030  0.00  0.00    +0.204 A 
ATOM     11  C   LIG    1       -2.619  -1.478  -2.129  0.00  0.00    +0.166 A 
ATOM     12  C   LIG    1       -1.621  -0.526  -1.898  0.00  0.00    +0.059 A 
BRANCH   9  13
ATOM     13  O   LIG    1       -3.606  -2.361   1.285  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1       -3.510  -1.806   2.591  0.00  0.00    +0.277 C 
ENDBRANCH   9  13
BRANCH  10  15
ATOM     15  O   LIG    1       -4.268  -2.984  -1.247  0.00  0.00    -0.488 OA
ATOM     16  C   LIG    1       -3.735  -4.305  -1.321  0.00  0.00    +0.277 C 
ENDBRANCH  10  15
BRANCH  11  17
ATOM     17  O   LIG    1       -3.051  -1.874  -3.369  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1       -2.340  -1.393  -4.501  0.00  0.00    +0.277 C 
ENDBRANCH  11  17
ENDBRANCH   3   7
BRANCH   4  19
ATOM     19  C   LIG    1        1.548  -0.328  -1.684  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1        1.896  -1.172  -2.401  0.00  0.00    -0.191 NA
ENDBRANCH   4  19
BRANCH   1  21
ATOM     21  S   LIG    1       -0.231   4.069   1.848  0.00  0.00    -0.073 S 
BRANCH  21  22
ATOM     22  C   LIG    1        1.367   4.778   2.342  0.00  0.00    +0.165 C 
BRANCH  22  24
ATOM     23  C   LIG    1        1.042   6.745   4.120  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        1.185   5.860   3.320  0.00  0.00    -0.094 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   1  21
BRANCH   5  25
ATOM     25  S   LIG    1        3.669   1.876  -1.008  0.00  0.00    -0.040 S 
BRANCH  25  26
ATOM     26  C   LIG    1        4.382   0.798   0.174  0.00  0.00    +0.166 A 
ATOM     27  S   LIG    1        6.074   0.572   0.315  0.00  0.00    -0.024 S 
ATOM     28  C   LIG    1        5.746  -0.541   1.582  0.00  0.00    +0.180 A 
ATOM     29  N   LIG    1        4.465  -0.699   1.831  0.00  0.00    -0.125 NA
ATOM     30  N   LIG    1        3.669   0.076   1.011  0.00  0.00    -0.133 NA
BRANCH  28  31
ATOM     31  N   LIG    1        6.734  -1.186   2.230  0.00  0.00    -0.336 N 
ATOM     32  H   LIG    1        6.450  -2.011   2.749  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1        7.618  -1.299   1.747  0.00  0.00    +0.144 HD
ENDBRANCH  28  31
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 11