REMARK  Name = BDB014545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.131   0.195   3.091  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.025  -0.514   3.337  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.033  -1.511   3.487  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.131   1.402   2.851  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -2.402  -0.653   3.129  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -3.538   0.172   2.865  0.00  0.00    -0.479 OA
BRANCH   6   8
ATOM      7  C   LIG    1       -4.443  -0.216   0.676  0.00  0.00    +0.180 A 
ATOM      8  C   LIG    1       -4.425  -0.465   2.045  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -5.371  -1.332   2.576  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -6.268  -1.954   1.712  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -6.181  -1.676   0.359  0.00  0.00    +0.113 A 
ATOM     12  N   LIG    1       -5.285  -0.819  -0.182  0.00  0.00    -0.236 NA
BRANCH   7  13
ATOM     13  N   LIG    1       -3.520   0.680   0.082  0.00  0.00    -0.201 N 
ATOM     14  H   LIG    1       -3.130   1.356   0.746  0.00  0.00    +0.175 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -3.036  -0.352  -2.372  0.00  0.00    +0.218 C 
ATOM     16  S   LIG    1       -2.288  -0.043  -0.785  0.00  0.00    +0.041 S 
ATOM     17  O   LIG    1       -1.290   0.988  -0.975  0.00  0.00    -0.155 OA
ATOM     18  O   LIG    1       -1.918  -1.296  -0.160  0.00  0.00    -0.155 OA
ENDBRANCH  13  16
ENDBRANCH   7  13
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1        1.332   0.112   3.515  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.907   0.871   2.298  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.314   2.170   2.209  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        0.339   2.052   2.280  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        1.750   0.073   0.981  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        2.745   0.411  -0.061  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        2.666  -0.578  -1.156  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        3.542  -0.247  -2.347  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        3.990   1.065  -2.568  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        4.779   1.354  -3.690  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        5.098   0.351  -4.604  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.640  -0.947  -4.401  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        3.674   2.141  -1.563  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        3.863  -1.246  -3.280  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        2.526   1.759  -0.615  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 10