REMARK  Name = BDB015525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.016   0.834   0.040  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.387  -0.332   0.187  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.937  -0.249   0.371  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.639   0.891   0.446  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.958   2.041   0.269  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.404   2.062   0.064  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.747   3.298   0.317  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.775   3.382   1.182  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.553   4.523   1.301  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -4.633   4.520   2.275  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.329   5.667   0.538  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -3.979   6.705   0.638  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -2.214   5.575  -0.460  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -1.992   6.770  -1.331  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -1.491   4.446  -0.540  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.405   0.729  -0.183  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        2.974   1.544   0.034  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        2.852   0.095  -1.671  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        1.826   0.403  -2.645  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        4.209   0.561  -1.877  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        2.912  -1.674  -1.383  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.771  -2.051  -0.183  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        4.746  -3.953   1.152  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        3.916  -3.567  -0.061  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  25
ATOM     25  O   LIG    1       -1.692  -1.405   0.532  0.00  0.00    -0.423 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -1.105  -2.578   0.113  0.00  0.00    +0.138 A 
ATOM     27  C   LIG    1       -1.149  -2.940  -1.247  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -1.758  -2.041  -2.285  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -0.569  -4.154  -1.638  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1        0.005  -5.003  -0.692  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        0.010  -4.649   0.658  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -0.554  -3.439   1.078  0.00  0.00    -0.008 A 
ATOM     33  C   LIG    1       -0.530  -3.064   2.532  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8