REMARK  Name = BDB046777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.421   1.694  -1.620  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        2.644   0.857  -0.754  0.00  0.00    +0.262 A 
ATOM      3  C   LIG    1        3.758   0.996   0.194  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        3.925  -0.018   1.133  0.00  0.00    +0.100 A 
ATOM      5  C   LIG    1        4.984   0.136   2.015  0.00  0.00    +0.139 A 
ATOM      6  N   LIG    1        5.840   1.191   2.010  0.00  0.00    -0.261 NA
ATOM      7  C   LIG    1        5.633   2.146   1.076  0.00  0.00    +0.111 A 
ATOM      8  N   LIG    1        3.081  -1.139   1.206  0.00  0.00    -0.194 NA
ATOM      9  C   LIG    1        2.102  -1.208   0.365  0.00  0.00    +0.304 A 
ATOM     10  C   LIG    1        4.611   2.097   0.148  0.00  0.00    +0.035 A 
ATOM     11  N   LIG    1        1.875  -0.265  -0.605  0.00  0.00    -0.276 N 
ATOM     12  H   LIG    1        1.130  -0.389  -1.273  0.00  0.00    +0.173 HD
ENDROOT
BRANCH   9  13
ATOM     13  O   LIG    1        1.279  -2.296   0.402  0.00  0.00    -0.422 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -0.002  -2.207  -0.005  0.00  0.00    +0.169 A 
ATOM     15  C   LIG    1       -0.893  -1.194   0.256  0.00  0.00    +0.155 A 
ATOM     16  N   LIG    1       -2.074  -1.586  -0.319  0.00  0.00    -0.265 N 
ATOM     17  N   LIG    1       -1.990  -2.787  -0.930  0.00  0.00    -0.176 NA
ATOM     18  C   LIG    1       -0.734  -3.180  -0.700  0.00  0.00    +0.180 A 
BRANCH  16  19
ATOM     19  C   LIG    1       -3.335  -0.863  -0.336  0.00  0.00    +0.107 C 
ATOM     20  C   LIG    1       -3.266   0.427  -1.169  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1       -4.036   1.462  -0.360  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -3.740   1.076   1.079  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -3.827  -0.445   1.061  0.00  0.00    +0.027 C 
ENDBRANCH  16  19
ENDBRANCH  13  14
ENDBRANCH   9  13
TORSDOF 3