REMARK  Name = BDB062615
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.125  -2.432   1.066  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        0.772  -2.621  -0.213  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -0.113  -3.552   1.953  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  10
ATOM      4  C   LIG    1       -6.433   0.335   2.059  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1       -6.243   0.616   0.596  0.00  0.00    +0.217 C 
ATOM      6  N   LIG    1       -5.056   0.279  -0.018  0.00  0.00    -0.271 N 
ATOM      7  C   LIG    1       -3.907  -0.395   0.436  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -2.960  -0.447  -0.596  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1       -1.724  -1.058  -0.434  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1       -1.437  -1.628   0.806  0.00  0.00    +0.109 A 
ATOM     11  C   LIG    1       -2.380  -1.602   1.846  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -3.446   0.249  -1.827  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -3.622  -0.979   1.661  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -4.884   0.593  -1.444  0.00  0.00    +0.118 C 
ATOM     15  O   LIG    1       -7.158   1.157  -0.034  0.00  0.00    -0.276 OA
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  N   LIG    1        0.982  -1.291   1.975  0.00  0.00    -0.216 N 
ATOM     17  H   LIG    1        1.545  -1.756   2.686  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.580  -0.203   1.282  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        2.870  -0.332   0.761  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        3.459   0.719   0.040  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1        2.713   1.896  -0.147  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        1.420   2.019   0.368  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        0.852   0.966   1.081  0.00  0.00    +0.024 A 
BRANCH  20  24
ATOM     24  C   LIG    1        4.818   0.591  -0.510  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1        5.906   0.268   0.318  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        7.197   0.146  -0.204  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        7.420   0.344  -1.565  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.355   0.663  -2.403  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        5.065   0.786  -1.879  0.00  0.00    +0.008 A 
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4