REMARK  Name = BDB003261
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.120   2.454   0.106  0.00  0.00    +0.233 C 
ATOM      2  C   LIG    1        2.143   1.468  -0.545  0.00  0.00    +0.216 C 
ATOM      3  O   LIG    1        2.444   0.716  -1.471  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1        0.763   1.455   0.010  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        0.487   1.962   1.345  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -0.883   1.886   1.850  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -1.877   1.384   1.073  0.00  0.00    +0.022 A 
ATOM      8  N   LIG    1       -1.584   0.886  -0.231  0.00  0.00    -0.349 N 
ATOM      9  C   LIG    1        1.467   2.455   2.115  0.00  0.00    +0.059 C 
ATOM     10  C   LIG    1       -0.259   0.946  -0.696  0.00  0.00    +0.098 A 
ATOM     11  C   LIG    1        2.861   2.572   1.614  0.00  0.00    +0.208 C 
ATOM     12  O   LIG    1        3.740   2.833   2.437  0.00  0.00    -0.288 OA
ATOM     13  C   LIG    1        2.931   3.865  -0.473  0.00  0.00    +0.073 C 
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1       -3.273   1.303   1.566  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1       -3.869   2.433   2.377  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1       -4.323   2.211   0.969  0.00  0.00    +0.010 C 
ENDBRANCH   7  14
BRANCH   1  17
ATOM     17  O   LIG    1        4.486   1.995   0.011  0.00  0.00    -0.442 OA
BRANCH  17  18
ATOM     18  C   LIG    1        5.124   1.986  -1.183  0.00  0.00    +0.309 C 
ATOM     19  O   LIG    1        4.694   2.467  -2.221  0.00  0.00    -0.251 OA
BRANCH  18  20
ATOM     20  C   LIG    1        6.506   1.388  -1.057  0.00  0.00    +0.132 C 
BRANCH  20  21
ATOM     21  C   LIG    1        6.561   0.161  -0.161  0.00  0.00    +0.132 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.784  -0.974  -0.773  0.00  0.00    +0.307 C 
ATOM     23  O   LIG    1        6.161  -1.606  -1.751  0.00  0.00    -0.251 OA
BRANCH  22  25
ATOM     24  C   LIG    1        3.780  -2.173  -0.682  0.00  0.00    +0.280 C 
ATOM     25  O   LIG    1        4.617  -1.170  -0.104  0.00  0.00    -0.468 OA
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   8  26
ATOM     26  C   LIG    1       -2.581   0.171  -1.055  0.00  0.00    +0.124 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.587  -1.320  -0.721  0.00  0.00    +0.049 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.647  -2.056  -1.533  0.00  0.00    +0.162 C 
BRANCH  28  29
ATOM     29  O   LIG    1       -3.592  -3.457  -1.272  0.00  0.00    -0.377 OA
BRANCH  29  30
ATOM     30  C   LIG    1       -4.345  -3.879  -0.131  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -5.796  -4.126  -0.530  0.00  0.00    +0.037 C 
ATOM     32  C   LIG    1       -3.707  -5.167   0.378  0.00  0.00    +0.037 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   8  26
TORSDOF 12