REMARK  Name = BDB062636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.790  -2.627   2.155  0.00  0.00    +0.076 S 
ATOM      2  O   LIG    1        1.874  -3.576   1.976  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.119  -2.535   3.433  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1        0.823   0.166   2.074  0.00  0.00    +0.147 A 
ATOM      5  C   LIG    1        1.406  -1.031   1.645  0.00  0.00    +0.150 A 
ATOM      6  C   LIG    1        2.531  -1.020   0.795  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1        3.089   0.181   0.343  0.00  0.00    -0.020 A 
ATOM      8  C   LIG    1        2.489   1.372   0.767  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        1.378   1.366   1.623  0.00  0.00    +0.048 A 
BRANCH   7  10
ATOM     10  C   LIG    1        4.252   0.182  -0.558  0.00  0.00    -0.044 C 
ATOM     11  C   LIG    1        4.698  -1.042  -1.309  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1        5.692  -0.482  -2.325  0.00  0.00    +0.009 C 
ATOM     13  C   LIG    1        6.182   0.838  -1.741  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1        5.084   1.208  -0.800  0.00  0.00    -0.023 C 
ENDBRANCH   7  10
BRANCH   4  16
ATOM     15  C   LIG    1       -0.970   1.293   3.190  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -0.256   0.098   2.903  0.00  0.00    -0.493 OA
ENDBRANCH   4  16
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  N   LIG    1       -0.326  -3.024   0.945  0.00  0.00    -0.216 N 
ATOM     18  H   LIG    1        0.114  -3.524   0.176  0.00  0.00    +0.174 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.383  -2.124   0.644  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1       -1.377  -1.468  -0.589  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1       -2.389  -0.555  -0.852  0.00  0.00    -0.023 A 
ATOM     22  C   LIG    1       -2.555   0.279  -2.081  0.00  0.00    +0.056 C 
ATOM     23  C   LIG    1       -3.872   1.011  -1.795  0.00  0.00    +0.118 C 
ATOM     24  N   LIG    1       -4.280   0.676  -0.420  0.00  0.00    -0.271 N 
ATOM     25  C   LIG    1       -5.372   1.198   0.250  0.00  0.00    +0.217 C 
ATOM     26  O   LIG    1       -5.690   0.927   1.407  0.00  0.00    -0.276 OA
ATOM     27  C   LIG    1       -6.201   2.184  -0.538  0.00  0.00    +0.109 C 
ATOM     28  C   LIG    1       -3.389  -0.289   0.084  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1       -3.405  -0.943   1.304  0.00  0.00    +0.025 A 
ATOM     30  C   LIG    1       -2.392  -1.868   1.581  0.00  0.00    +0.026 A 
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5