REMARK  Name = BDB014777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.617   4.040   2.031  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -5.382   3.214   1.026  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.666   2.261   0.311  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -3.188   2.240   0.289  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.681   0.943  -0.228  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.362   0.420  -0.320  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.383  -0.802  -0.864  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.680  -1.066  -1.109  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -3.494  -0.036  -0.758  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.969   0.055  -0.864  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.373   1.540  -0.769  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.591   3.392   0.879  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1       -0.280   1.122   0.103  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -0.443   2.039   0.495  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.099   0.810   0.107  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        1.631  -0.389  -0.374  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        3.011  -0.640  -0.341  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        3.904   0.305   0.172  0.00  0.00    -0.022 A 
ATOM     19  C   LIG    1        3.379   1.505   0.662  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        2.000   1.753   0.628  0.00  0.00    +0.024 A 
BRANCH  18  21
ATOM     21  C   LIG    1        5.356   0.029   0.223  0.00  0.00    -0.044 C 
ATOM     22  C   LIG    1        5.791  -1.330   0.723  0.00  0.00    +0.035 C 
ATOM     23  C   LIG    1        7.269  -1.377   1.120  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        8.139  -0.718   0.056  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        7.736   0.741  -0.162  0.00  0.00    +0.027 C 
ATOM     26  C   LIG    1        6.249   0.957  -0.172  0.00  0.00    -0.023 C 
ENDBRANCH  18  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -3.048  -2.350  -1.692  0.00  0.00    +0.147 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.344  -3.376  -0.639  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -4.753  -3.629  -0.164  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -4.053  -4.655  -1.011  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5