REMARK  Name = BDB017021
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.229   0.400  -1.154  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        1.752   0.433  -2.450  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        0.644   1.135  -2.408  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        0.353   1.527  -1.135  0.00  0.00    -0.335 N 
ATOM      5  C   LIG    1        1.371   1.099  -0.324  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        5.278  -0.671   0.751  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        4.109   0.024   0.434  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        3.457  -0.282  -0.753  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        3.923  -1.230  -1.605  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        5.055  -1.884  -1.275  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        5.766  -1.645  -0.116  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        5.588   0.487   2.832  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        5.963  -0.338   2.020  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        7.084  -1.053   2.211  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        7.429  -0.733   3.071  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -0.799   2.305  -0.730  0.00  0.00    +0.141 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.751   1.582   0.233  0.00  0.00    +0.126 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.657   0.648  -0.452  0.00  0.00    -0.328 N 
ATOM     19  C   LIG    1       -3.760   0.170   0.296  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1       -4.106  -1.145  -0.040  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1       -5.178  -1.801   0.545  0.00  0.00    +0.043 A 
ATOM     22  C   LIG    1       -5.915  -1.109   1.498  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1       -5.598   0.206   1.845  0.00  0.00    +0.040 A 
ATOM     24  F   LIG    1       -6.956  -1.710   2.089  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -3.196  -1.646  -1.105  0.00  0.00    +0.056 C 
ATOM     26  C   LIG    1       -4.518   0.856   1.236  0.00  0.00    +0.026 A 
ATOM     27  C   LIG    1       -2.079  -0.595  -1.025  0.00  0.00    +0.110 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6