REMARK  Name = BDB063846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.631  -2.483   2.753  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.424  -1.618   1.926  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        2.402  -0.804   1.157  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.724  -0.960   1.304  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.722   0.053   0.320  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.463  -0.196   0.540  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1        0.236  -1.155   1.464  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -0.645  -1.506   1.787  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        4.777  -0.224   0.587  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.958  -0.910   0.262  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        6.981  -0.207  -0.395  0.00  0.00    +0.060 A 
ATOM     12  C   LIG    1        6.873   1.147  -0.723  0.00  0.00    +0.102 A 
ATOM     13  N   LIG    1        7.980   1.684  -1.371  0.00  0.00    -0.141 NA
ATOM     14  N   LIG    1        8.932   0.784  -1.550  0.00  0.00    -0.109 NA
ATOM     15  C   LIG    1        5.691   1.827  -0.375  0.00  0.00    +0.031 A 
ATOM     16  S   LIG    1        8.529  -0.721  -0.949  0.00  0.00    +0.037 S 
ATOM     17  C   LIG    1        4.661   1.136   0.280  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -0.518   0.469  -0.118  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -0.140   1.097  -0.823  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.952   0.251  -0.177  0.00  0.00    +0.035 C 
ATOM     21  C   LIG    1       -2.620   0.521   1.189  0.00  0.00    +0.029 C 
ATOM     22  C   LIG    1       -4.144   0.333   1.086  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1       -4.710   1.330   0.062  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1       -4.072   1.084  -1.314  0.00  0.00    -0.008 C 
ATOM     25  C   LIG    1       -4.385  -0.349  -1.771  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1       -3.818  -1.358  -0.759  0.00  0.00    -0.008 C 
ATOM     27  C   LIG    1       -4.448  -1.101   0.621  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -2.549   1.256  -1.202  0.00  0.00    +0.029 C 
ATOM     29  C   LIG    1       -2.292  -1.176  -0.661  0.00  0.00    +0.029 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3