REMARK  Name = BDB009126
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.883  -2.102   0.123  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.941  -1.086  -0.053  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.299  -1.348  -0.663  0.00  0.00    -0.045 A 
ATOM      4  C   LIG    1       -0.592  -2.647  -1.092  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.342  -3.666  -0.923  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.572  -3.394  -0.320  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        3.091   0.336   1.328  0.00  0.00    -0.272 OA
ATOM      8  C   LIG    1        3.666  -0.745   1.262  0.00  0.00    +0.255 C 
ATOM      9  N   LIG    1        3.147  -1.917   0.721  0.00  0.00    -0.283 N 
ATOM     10  H   LIG    1        3.731  -2.742   0.772  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        5.098  -0.952   1.786  0.00  0.00    +0.324 C 
BRANCH  11  12
ATOM     12  O   LIG    1        5.755   0.189   2.310  0.00  0.00    -0.483 OA
BRANCH  12  13
ATOM     13  C   LIG    1        6.429   0.990   1.431  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1        7.366   1.844   2.019  0.00  0.00    +0.045 A 
ATOM     15  C   LIG    1        8.125   2.716   1.237  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        7.943   2.745  -0.143  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.998   1.908  -0.735  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        6.240   1.034   0.050  0.00  0.00    +0.045 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1       -1.312  -0.241  -0.829  0.00  0.00    +0.041 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.073   0.026   0.468  0.00  0.00    +0.062 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.199   1.015   0.208  0.00  0.00    +0.065 A 
ATOM     22  C   LIG    1       -4.558   0.511  -0.162  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.857  -0.962  -0.188  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -6.348  -1.283  -0.334  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -7.019  -0.363  -1.346  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -6.870   1.102  -0.934  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -5.478   1.439  -0.475  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -5.143   2.883  -0.384  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -5.966   3.755  -0.642  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -3.866   3.176   0.011  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -3.611   4.155   0.076  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -2.888   2.273   0.286  0.00  0.00    -0.176 NA
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 7