REMARK  Name = BDB064978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.150  -0.305  -0.201  0.00  0.00    +0.178 C 
ENDROOT
BRANCH   1   3
ATOM      2  N   LIG    1       -0.310  -2.225  -0.905  0.00  0.00    -0.299 N 
ATOM      3  C   LIG    1        0.875  -1.819  -0.295  0.00  0.00    +0.229 C 
ATOM      4  O   LIG    1        1.675  -2.635   0.172  0.00  0.00    -0.274 OA
BRANCH   2   5
ATOM      5  C   LIG    1       -0.582  -3.659  -1.006  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1       -0.023  -4.243  -2.294  0.00  0.00    +0.024 C 
ENDBRANCH   2   5
BRANCH   2   7
ATOM      7  C   LIG    1       -1.347  -1.312  -1.405  0.00  0.00    +0.123 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -2.415  -1.006  -0.333  0.00  0.00    +0.103 C 
BRANCH   8   9
ATOM      9  N   LIG    1       -3.366   0.055  -0.729  0.00  0.00    -0.304 NA
ATOM     10  C   LIG    1       -4.252  -0.406  -1.804  0.00  0.00    +0.104 C 
BRANCH   9  11
ATOM     11  C   LIG    1       -4.139   0.489   0.453  0.00  0.00    +0.084 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -4.952   1.770   0.209  0.00  0.00    +0.015 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -6.418   3.526   1.272  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -5.607   2.260   1.502  0.00  0.00    -0.002 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  N   LIG    1        2.478  -0.029   0.387  0.00  0.00    -0.303 NA
ATOM     16  H   LIG    1        2.658  -0.769   1.075  0.00  0.00    +0.123 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.540  -0.141  -0.628  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.914   0.145  -0.050  0.00  0.00    +0.056 A 
ATOM     19  N   LIG    1        5.844  -0.840  -0.124  0.00  0.00    -0.259 NA
ATOM     20  C   LIG    1        7.067  -0.594   0.393  0.00  0.00    +0.112 A 
ATOM     21  C   LIG    1        7.423   0.603   0.982  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        6.462   1.609   1.046  0.00  0.00    +0.062 A 
ATOM     23  C   LIG    1        5.188   1.383   0.525  0.00  0.00    +0.039 A 
BRANCH  22  24
ATOM     24  C   LIG    1        6.836   2.895   1.677  0.00  0.00    +0.337 C 
ATOM     25  O   LIG    1        7.917   3.154   2.173  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1        5.843   3.800   1.651  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1        6.225   4.584   2.098  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 13