REMARK  Name = BDB063313
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.251   1.426   0.889  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1        0.011   1.751   1.355  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        1.348   1.198   1.079  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        2.134   1.572   2.340  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        1.584   2.949   2.688  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        0.113   2.844   2.320  0.00  0.00    +0.108 C 
ATOM      7  O   LIG    1       -2.188   2.166   1.228  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -1.548   0.181  -0.031  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1       -0.923  -1.160   0.468  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -0.062  -1.709  -0.674  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1       -0.564  -1.005  -1.921  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -0.896   0.392  -1.418  0.00  0.00    +0.021 C 
BRANCH   8  16
ATOM     13  C   LIG    1       -5.886  -0.599  -0.075  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1       -5.161  -0.588   1.113  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -3.788  -0.330   1.107  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -3.089  -0.075  -0.092  0.00  0.00    -0.032 A 
ATOM     17  C   LIG    1       -3.838  -0.089  -1.279  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -5.218  -0.348  -1.271  0.00  0.00    +0.046 A 
BRANCH  13  20
ATOM     19  C   LIG    1       -8.012  -0.804  -1.114  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -7.219  -0.867   0.065  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH   8  16
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1        2.037   1.832  -0.144  0.00  0.00    +0.239 C 
ATOM     22  N   LIG    1        3.138   1.290  -0.726  0.00  0.00    -0.269 N 
ATOM     23  H   LIG    1        3.440   1.832  -1.529  0.00  0.00    +0.156 HD
ATOM     24  O   LIG    1        1.615   2.886  -0.635  0.00  0.00    -0.273 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.950   0.170  -0.552  0.00  0.00    +0.126 A 
ATOM     26  N   LIG    1        4.886   0.096  -1.519  0.00  0.00    -0.229 NA
ATOM     27  C   LIG    1        5.729  -0.958  -1.456  0.00  0.00    +0.110 A 
ATOM     28  C   LIG    1        5.665  -1.923  -0.465  0.00  0.00    +0.084 A 
ATOM     29  N   LIG    1        6.673  -2.802  -0.752  0.00  0.00    -0.275 N 
ATOM     30  H   LIG    1        6.933  -3.640  -0.243  0.00  0.00    +0.189 HD
ATOM     31  N   LIG    1        7.383  -2.482  -1.852  0.00  0.00    -0.180 NA
ATOM     32  C   LIG    1        4.713  -1.857   0.543  0.00  0.00    +0.032 A 
ATOM     33  C   LIG    1        6.802  -1.354  -2.278  0.00  0.00    +0.162 A 
ATOM     34  C   LIG    1        3.840  -0.764   0.475  0.00  0.00    +0.046 A 
ENDBRANCH  22  25
ENDBRANCH   3  21
TORSDOF 5