REMARK  Name = BDB003849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.181  -0.011  -1.009  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1        0.393  -0.569   0.104  0.00  0.00    +0.102 C 
ATOM      3  C   LIG    1       -0.910  -0.063  -0.553  0.00  0.00    +0.081 C 
ATOM      4  C   LIG    1       -2.085  -1.074  -0.699  0.00  0.00    +0.232 C 
ATOM      5  O   LIG    1       -2.056  -2.200  -1.183  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -3.213  -0.487  -0.180  0.00  0.00    -0.230 N 
ATOM      7  C   LIG    1       -3.015   0.812   0.216  0.00  0.00    +0.224 C 
ATOM      8  O   LIG    1       -3.869   1.594   0.605  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -1.552   1.162   0.089  0.00  0.00    +0.115 C 
ATOM     10  C   LIG    1       -0.041   0.199  -1.804  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -4.529  -1.102  -0.316  0.00  0.00    +0.170 C 
ATOM     12  C   LIG    1       -5.237  -0.497  -1.533  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.648   0.064  -2.455  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.603  -0.668  -1.573  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.074  -0.278  -2.378  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.419  -1.146  -0.578  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.639  -1.160  -0.712  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.736  -1.704   0.650  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.417  -0.993   0.920  0.00  0.00    +0.041 C 
ENDBRANCH   6  11
BRANCH   1  20
ATOM     20  C   LIG    1        1.813   1.269  -0.659  0.00  0.00    +0.119 C 
BRANCH  20  23
ATOM     21  C   LIG    1        5.280   0.160   0.527  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1        4.134   0.332  -0.262  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        3.043   1.085   0.205  0.00  0.00    -0.033 A 
ATOM     24  C   LIG    1        3.120   1.670   1.477  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.258   1.503   2.267  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.336   0.751   1.796  0.00  0.00    +0.015 A 
BRANCH  21  27
ATOM     27  C   LIG    1        6.403  -0.646  -0.028  0.00  0.00    +0.339 C 
ATOM     28  O   LIG    1        6.409  -1.111  -1.157  0.00  0.00    -0.245 OA
BRANCH  27  30
ATOM     29  C   LIG    1        8.506  -1.551   0.430  0.00  0.00    +0.280 C 
ATOM     30  O   LIG    1        7.393  -0.782   0.890  0.00  0.00    -0.464 OA
ENDBRANCH  27  30
ENDBRANCH  21  27
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 5