REMARK  Name = BDB003260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.975  -1.303  -0.860  0.00  0.00    +0.233 C 
ATOM      2  C   LIG    1        1.052  -0.144  -0.471  0.00  0.00    +0.216 C 
ATOM      3  O   LIG    1        1.371   1.040  -0.591  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1       -0.312  -0.520  -0.004  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.630  -1.888   0.383  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -1.998  -2.199   0.789  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -2.951  -1.233   0.799  0.00  0.00    +0.022 A 
ATOM      8  N   LIG    1       -2.616   0.107   0.443  0.00  0.00    -0.349 N 
ATOM      9  C   LIG    1        0.315  -2.839   0.409  0.00  0.00    +0.059 C 
ATOM     10  C   LIG    1       -1.296   0.393   0.050  0.00  0.00    +0.098 A 
ATOM     11  C   LIG    1        1.715  -2.529   0.027  0.00  0.00    +0.208 C 
ATOM     12  O   LIG    1        2.598  -3.280   0.439  0.00  0.00    -0.288 OA
ATOM     13  C   LIG    1        1.667  -1.618  -2.333  0.00  0.00    +0.073 C 
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1       -4.345  -1.530   1.212  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1       -5.017  -2.812   0.769  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1       -5.447  -1.508   0.178  0.00  0.00    +0.010 C 
ENDBRANCH   7  14
BRANCH   1  17
ATOM     17  O   LIG    1        3.315  -0.800  -0.663  0.00  0.00    -0.442 OA
BRANCH  17  18
ATOM     18  C   LIG    1        4.376  -1.482  -1.161  0.00  0.00    +0.309 C 
ATOM     19  O   LIG    1        4.324  -2.463  -1.887  0.00  0.00    -0.251 OA
BRANCH  18  20
ATOM     20  C   LIG    1        5.657  -0.818  -0.745  0.00  0.00    +0.132 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.929   0.387  -1.629  0.00  0.00    +0.132 C 
BRANCH  21  22
ATOM     22  C   LIG    1        7.251   1.026  -1.293  0.00  0.00    +0.307 C 
ATOM     23  O   LIG    1        8.026   0.636  -0.432  0.00  0.00    -0.251 OA
BRANCH  22  25
ATOM     24  C   LIG    1        8.680   2.792  -1.859  0.00  0.00    +0.280 C 
ATOM     25  O   LIG    1        7.449   2.109  -2.096  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       -3.562   1.234   0.589  0.00  0.00    +0.121 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.482   1.820   2.002  0.00  0.00    +0.024 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.415   3.012   2.207  0.00  0.00    +0.029 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.890   2.632   2.221  0.00  0.00    +0.156 C 
BRANCH  29  30
ATOM     30  O   LIG    1       -6.656   3.804   2.462  0.00  0.00    -0.395 OA
ATOM     31  H   LIG    1       -7.591   3.539   2.487  0.00  0.00    +0.209 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   8  26
TORSDOF 12