REMARK  Name = BDB062638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.185  -1.023   2.868  0.00  0.00    +0.076 S 
ATOM      2  O   LIG    1       -1.884  -0.446   4.002  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -1.081  -2.459   2.742  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1       -1.831  -0.940   0.147  0.00  0.00    +0.147 A 
ATOM      5  C   LIG    1       -1.899  -0.309   1.395  0.00  0.00    +0.151 A 
ATOM      6  C   LIG    1       -2.558   0.927   1.541  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1       -3.149   1.565   0.444  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -3.079   0.928  -0.799  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -2.431  -0.306  -0.946  0.00  0.00    +0.048 A 
BRANCH   7  10
ATOM     10  C   LIG    1       -3.819   2.854   0.586  0.00  0.00    +0.135 A 
ATOM     11  O   LIG    1       -3.645   3.499   1.780  0.00  0.00    -0.463 OA
ATOM     12  C   LIG    1       -4.335   4.666   1.718  0.00  0.00    +0.196 A 
ATOM     13  C   LIG    1       -4.952   4.794   0.497  0.00  0.00    +0.042 A 
ATOM     14  C   LIG    1       -4.618   3.628  -0.235  0.00  0.00    +0.050 A 
ENDBRANCH   7  10
BRANCH   4  16
ATOM     15  C   LIG    1       -0.994  -2.718  -1.220  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -1.171  -2.129   0.060  0.00  0.00    -0.493 OA
ENDBRANCH   4  16
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  N   LIG    1        0.364  -0.338   2.917  0.00  0.00    -0.216 N 
ATOM     18  H   LIG    1        0.359   0.561   3.396  0.00  0.00    +0.174 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.229  -0.501   1.803  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1        1.719  -1.759   1.466  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        2.516  -1.874   0.334  0.00  0.00    -0.023 A 
ATOM     22  C   LIG    1        3.142  -3.131  -0.179  0.00  0.00    +0.056 C 
ATOM     23  C   LIG    1        3.746  -2.656  -1.499  0.00  0.00    +0.118 C 
ATOM     24  N   LIG    1        3.639  -1.189  -1.540  0.00  0.00    -0.271 N 
ATOM     25  C   LIG    1        4.231  -0.507  -2.580  0.00  0.00    +0.217 C 
ATOM     26  O   LIG    1        4.810  -1.107  -3.493  0.00  0.00    -0.276 OA
ATOM     27  C   LIG    1        4.185   0.994  -2.610  0.00  0.00    +0.109 C 
ATOM     28  C   LIG    1        2.842  -0.769  -0.459  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1        2.359   0.484  -0.118  0.00  0.00    +0.025 A 
ATOM     30  C   LIG    1        1.550   0.615   1.020  0.00  0.00    +0.026 A 
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5