REMARK  Name = BDB021464
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.050  -1.787  -1.752  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.385  -0.804  -1.087  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.526  -0.154  -0.263  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -0.266   1.155   0.315  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        0.217   2.114  -0.757  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        1.636   2.123  -0.846  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        2.301   0.949  -1.054  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1        3.689   1.171  -1.160  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        4.597   0.127  -1.381  0.00  0.00    -0.030 A 
ATOM     10  C   LIG    1        4.098  -1.168  -1.505  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        2.726  -1.403  -1.401  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        1.807  -0.356  -1.167  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -1.913  -0.643  -0.238  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.737  -0.140  -1.439  0.00  0.00    +0.146 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -2.938   1.282  -1.355  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1       -3.393   1.547  -2.174  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
BRANCH  14  17
ATOM     17  C   LIG    1       -4.089  -0.885  -1.572  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -4.923  -0.969  -0.354  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -5.371   0.361   0.107  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -6.420   0.321   1.202  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -7.158  -0.846   1.462  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -8.135  -0.845   2.467  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -8.398   0.317   3.192  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -7.684   1.482   2.924  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.850  -2.109   0.703  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -6.701   1.485   1.933  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -6.092  -1.831  -0.600  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   9  28
ATOM     28  C   LIG    1        6.081   0.401  -1.498  0.00  0.00    +0.120 C 
BRANCH  28  29
ATOM     29  N   LIG    1        6.874  -0.343  -0.514  0.00  0.00    -0.291 NA
ATOM     30  C   LIG    1        6.683   0.117   0.891  0.00  0.00    +0.085 C 
ATOM     31  C   LIG    1        7.364  -0.925   1.803  0.00  0.00    +0.179 C 
ATOM     32  O   LIG    1        8.786  -0.694   1.597  0.00  0.00    -0.374 OA
ATOM     33  C   LIG    1        8.824   0.384   0.626  0.00  0.00    +0.134 C 
ATOM     34  C   LIG    1        7.665   1.263   1.043  0.00  0.00    +0.054 C 
ATOM     35  C   LIG    1        8.339  -0.166  -0.729  0.00  0.00    +0.116 C 
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 7