REMARK  Name = BDB059084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.213   1.212  -1.379  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -2.724   0.754  -0.367  0.00  0.00    +0.231 C 
ATOM      3  C   LIG    1       -2.029  -0.125   0.702  0.00  0.00    +0.077 C 
ATOM      4  C   LIG    1       -0.968   0.690   1.452  0.00  0.00    +0.040 C 
ATOM      5  C   LIG    1        0.303   0.888   0.629  0.00  0.00    +0.109 C 
ATOM      6  N   LIG    1        0.807  -0.417   0.166  0.00  0.00    -0.301 N 
ATOM      7  C   LIG    1       -0.153  -1.105  -0.710  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -1.444  -1.387   0.056  0.00  0.00    +0.040 C 
ATOM      9  C   LIG    1       -3.199  -0.457   1.609  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1       -4.358   0.174   1.149  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1       -5.569   0.022   1.800  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -5.605  -0.780   2.943  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -4.443  -1.413   3.413  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -3.228  -1.254   2.745  0.00  0.00    +0.006 A 
ATOM     15  N   LIG    1       -4.060   0.912  -0.000  0.00  0.00    -0.268 N 
ENDROOT
BRANCH   6  16
ATOM     16  C   LIG    1        2.162  -0.509  -0.115  0.00  0.00    +0.198 A 
ATOM     17  N   LIG    1        2.671  -1.767  -0.283  0.00  0.00    -0.295 N 
ATOM     18  H   LIG    1        2.083  -2.567  -0.129  0.00  0.00    +0.172 HD
ATOM     19  C   LIG    1        3.989  -2.026  -0.507  0.00  0.00    +0.256 A 
ATOM     20  O   LIG    1        4.426  -3.170  -0.588  0.00  0.00    -0.267 OA
ATOM     21  C   LIG    1        4.850  -0.837  -0.641  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        6.306  -1.042  -0.928  0.00  0.00    +0.042 C 
ATOM     23  C   LIG    1        7.137   0.225  -0.714  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        6.422   1.450  -1.272  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1        5.056   1.640  -0.607  0.00  0.00    +0.056 C 
ATOM     26  C   LIG    1        4.263   0.360  -0.475  0.00  0.00    +0.053 A 
ATOM     27  N   LIG    1        2.930   0.535  -0.191  0.00  0.00    -0.220 NA
ENDBRANCH   6  16
BRANCH  15  28
ATOM     28  C   LIG    1       -5.020   1.667  -0.786  0.00  0.00    +0.141 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.408   0.942  -2.079  0.00  0.00    +0.175 C 
BRANCH  29  30
ATOM     30  O   LIG    1       -4.428   1.102  -3.103  0.00  0.00    -0.393 OA
ATOM     31  H   LIG    1       -3.542   1.126  -2.685  0.00  0.00    +0.209 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  15  28
TORSDOF 4