REMARK  Name = BDB008662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.178  -1.317  -0.980  0.00  0.00    +0.045 A 
ATOM      2  N   LIG    1        2.180  -2.667  -1.034  0.00  0.00    -0.218 NA
ATOM      3  C   LIG    1        1.125  -3.259  -1.629  0.00  0.00    +0.215 A 
ATOM      4  C   LIG    1        0.046  -2.568  -2.159  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.024  -1.172  -2.076  0.00  0.00    -0.021 A 
ATOM      6  C   LIG    1        1.133  -0.547  -1.486  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   3   7
ATOM      7  O   LIG    1        1.071  -4.636  -1.724  0.00  0.00    -0.480 OA
ATOM      8  C   LIG    1        2.221  -5.276  -1.181  0.00  0.00    +0.279 C 
ENDBRANCH   3   7
BRANCH   5   9
ATOM      9  C   LIG    1       -1.116  -0.321  -2.625  0.00  0.00    +0.104 C 
ATOM     10  C   LIG    1       -2.281  -1.081  -3.279  0.00  0.00    +0.033 C 
BRANCH   9  11
ATOM     11  N   LIG    1       -1.619   0.671  -1.639  0.00  0.00    -0.289 N 
ATOM     12  C   LIG    1       -1.260   2.012  -1.834  0.00  0.00    +0.246 C 
ATOM     13  O   LIG    1       -0.430   2.343  -2.692  0.00  0.00    -0.273 OA
BRANCH  12  14
ATOM     14  C   LIG    1       -1.976   3.135  -1.044  0.00  0.00    +0.217 C 
ATOM     15  O   LIG    1       -2.099   2.948   0.364  0.00  0.00    -0.365 OA
ATOM     16  C   LIG    1       -3.261   3.568   0.928  0.00  0.00    +0.176 C 
ATOM     17  C   LIG    1       -3.650   4.862   0.204  0.00  0.00    +0.109 C 
ATOM     18  N   LIG    1       -4.025   4.627  -1.200  0.00  0.00    -0.311 NA
ATOM     19  H   LIG    1       -3.791   5.458  -1.745  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -3.315   3.453  -1.748  0.00  0.00    +0.122 C 
ENDBRANCH  12  14
BRANCH  11  21
ATOM     21  C   LIG    1       -2.536   0.236  -0.604  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1       -2.077   0.129   0.832  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1       -2.485  -1.102   0.097  0.00  0.00    +0.024 C 
ENDBRANCH  11  21
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  24
ATOM     24  C   LIG    1        3.346  -0.661  -0.290  0.00  0.00    +0.057 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.047  -0.314   1.169  0.00  0.00    +0.025 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.842  -1.553   2.041  0.00  0.00    +0.108 C 
BRANCH  26  28
ATOM     27  C   LIG    1        3.635  -0.907   4.287  0.00  0.00    +0.400 C 
ATOM     28  N   LIG    1        2.623  -1.194   3.424  0.00  0.00    -0.281 N 
ATOM     29  H   LIG    1        1.686  -1.053   3.773  0.00  0.00    +0.152 HD
ATOM     30  O   LIG    1        4.827  -0.954   4.026  0.00  0.00    -0.226 OA
BRANCH  27  32
ATOM     31  C   LIG    1        4.083  -0.227   6.472  0.00  0.00    +0.282 C 
ATOM     32  O   LIG    1        3.106  -0.552   5.484  0.00  0.00    -0.454 OA
ENDBRANCH  27  32
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 10