REMARK  Name = BDB014437
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.313  -1.097   1.688  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.424  -0.879   0.661  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.832  -0.709  -0.256  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.995  -1.609   2.759  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.734  -0.604   1.417  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        2.944  -0.381   0.026  0.00  0.00    -0.483 OA
BRANCH   6   9
ATOM      7  C   LIG    1        6.474   0.816  -0.024  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        5.258   0.334   0.491  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1        4.172   0.086  -0.354  0.00  0.00    +0.123 A 
ATOM     10  C   LIG    1        4.304   0.318  -1.723  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        5.504   0.796  -2.244  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        6.586   1.044  -1.396  0.00  0.00    +0.023 A 
BRANCH   7  15
ATOM     13  C   LIG    1        9.635   1.619   1.877  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        8.791   1.518   0.631  0.00  0.00    +0.214 C 
ATOM     15  N   LIG    1        7.520   1.038   0.897  0.00  0.00    -0.286 N 
ATOM     16  H   LIG    1        7.311   0.828   1.865  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        9.238   1.865  -0.456  0.00  0.00    -0.276 OA
ENDBRANCH   7  15
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1       -0.910  -1.450   0.675  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.794  -0.811  -0.400  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.202  -1.036  -1.691  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -1.952  -0.961  -2.318  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -3.214  -1.417  -0.386  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.005  -0.960  -1.553  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.491   0.429  -1.406  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.650   0.605  -0.448  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -6.501  -0.472  -0.138  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -7.588  -0.274   0.724  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.843   0.989   1.256  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.014   2.061   0.937  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.209  -1.850  -0.676  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -5.925   1.872   0.086  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -5.165  -1.838  -1.804  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 9