REMARK  Name = BDB033694
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.536   0.622   2.893  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.810   0.133   1.638  0.00  0.00    +0.237 A 
ATOM      3  N   LIG    1        0.135  -0.102   0.703  0.00  0.00    -0.178 NA
ATOM      4  C   LIG    1        1.409   0.167   1.029  0.00  0.00    +0.223 A 
ATOM      5  N   LIG    1        1.766   0.654   2.227  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1        0.790   0.870   3.134  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1       -2.324   1.068   4.701  0.00  0.00    -0.191 NA
ATOM      8  C   LIG    1       -1.532   0.863   3.878  0.00  0.00    +0.106 C 
ENDBRANCH   1   8
BRANCH   4   9
ATOM      9  N   LIG    1        2.339  -0.089   0.027  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1        1.860  -0.464  -0.780  0.00  0.00    +0.155 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.735  -0.024  -0.046  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        4.355  -0.328  -1.272  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        5.743  -0.265  -1.425  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        6.533   0.118  -0.342  0.00  0.00    +0.105 A 
ATOM     15  C   LIG    1        5.948   0.418   0.887  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        4.556   0.353   1.024  0.00  0.00    +0.025 A 
BRANCH  14  17
ATOM     17  S   LIG    1        8.294   0.193  -0.528  0.00  0.00    +0.056 S 
ATOM     18  O   LIG    1        8.897   0.160   0.785  0.00  0.00    -0.153 OA
ATOM     19  O   LIG    1        8.682  -0.709  -1.586  0.00  0.00    -0.153 OA
BRANCH  17  20
ATOM     20  N   LIG    1        8.505   1.769  -1.085  0.00  0.00    -0.204 NA
ATOM     21  H   LIG    1        7.629   2.232  -1.323  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        9.037   2.294  -0.389  0.00  0.00    +0.144 HD
ENDBRANCH  17  20
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   4   9
BRANCH   2  23
ATOM     23  O   LIG    1       -2.130  -0.145   1.335  0.00  0.00    -0.475 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -2.354  -0.533  -0.026  0.00  0.00    +0.240 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.873  -0.736  -0.275  0.00  0.00    +0.028 C 
ATOM     26  C   LIG    1       -4.043  -1.281  -1.724  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1       -5.373  -0.870  -2.346  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1       -5.489   0.650  -2.471  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -4.720   1.409  -1.389  0.00  0.00    +0.001 C 
ATOM     30  C   LIG    1       -4.638   0.608  -0.093  0.00  0.00    +0.012 C 
BRANCH  25  31
ATOM     31  C   LIG    1       -4.447  -1.743   0.753  0.00  0.00    +0.166 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -3.740  -2.977   0.736  0.00  0.00    -0.394 OA
ATOM     33  H   LIG    1       -2.984  -2.885   1.343  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  25  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 10