REMARK  Name = BDB002913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.433   0.455  -0.104  0.00  0.00    +0.108 A 
ATOM      2  C   LIG    1       -0.937   1.363   0.848  0.00  0.00    +0.148 A 
ATOM      3  C   LIG    1       -0.701   2.753   0.763  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1        0.013   3.256  -0.348  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        0.234   4.645  -0.450  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.235   5.526   0.525  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.940   5.035   1.616  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.462   2.347  -1.323  0.00  0.00    +0.152 A 
ATOM      9  C   LIG    1       -1.173   3.664   1.732  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        0.276   0.958  -1.210  0.00  0.00    +0.130 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        0.624  -1.068   2.175  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -0.328  -1.682   1.173  0.00  0.00    +0.217 C 
ATOM     13  N   LIG    1       -0.672  -0.948   0.040  0.00  0.00    -0.262 N 
ATOM     14  O   LIG    1       -0.753  -2.825   1.369  0.00  0.00    -0.276 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -1.513  -1.585  -0.982  0.00  0.00    +0.149 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.986  -1.304  -0.755  0.00  0.00    -0.030 A 
ATOM     17  C   LIG    1       -3.740  -2.109   0.115  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -5.085  -1.825   0.351  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1       -5.678  -0.737  -0.277  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1       -6.969  -0.465  -0.048  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -4.949   0.076  -1.137  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -3.603  -0.206  -1.377  0.00  0.00    +0.008 A 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   2  23
ATOM     23  O   LIG    1       -1.751   0.908   1.863  0.00  0.00    -0.504 OA
ATOM     24  H   LIG    1       -2.184   0.094   1.544  0.00  0.00    +0.292 HD
ENDBRANCH   2  23
BRANCH   8  25
ATOM     25  O   LIG    1        1.112   2.818  -2.445  0.00  0.00    -0.504 OA
ATOM     26  H   LIG    1        1.158   2.049  -3.048  0.00  0.00    +0.292 HD
ENDBRANCH   8  25
BRANCH  10  27
ATOM     27  N   LIG    1        0.802   0.133  -2.232  0.00  0.00    -0.254 NA
ATOM     28  C   LIG    1        2.006  -0.354  -2.114  0.00  0.00    +0.089 C 
BRANCH  28  29
ATOM     29  C   LIG    1        2.993  -0.141  -0.992  0.00  0.00    +0.082 C 
BRANCH  29  30
ATOM     30  C   LIG    1        3.552  -1.427  -0.428  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1        2.789  -2.600  -0.340  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        3.323  -3.755   0.236  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        4.622  -3.751   0.736  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        5.388  -2.590   0.667  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        4.854  -1.434   0.095  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  10  27
TORSDOF 8