REMARK  Name = BDB041330
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.537   0.077   0.794  0.00  0.00    +0.089 C 
ATOM      2  C   LIG    1        0.830  -0.927   1.674  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -0.587  -0.681   1.915  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -1.271  -1.521   2.709  0.00  0.00    +0.097 A 
ATOM      5  N   LIG    1       -0.647  -2.599   3.290  0.00  0.00    -0.328 N 
ATOM      6  H   LIG    1       -1.165  -3.230   3.890  0.00  0.00    +0.168 HD
ATOM      7  C   LIG    1        0.683  -2.899   3.124  0.00  0.00    +0.249 A 
ATOM      8  O   LIG    1        1.220  -3.861   3.658  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1       -1.243   0.520   1.268  0.00  0.00    +0.123 C 
ATOM     10  N   LIG    1       -0.538   1.527   0.846  0.00  0.00    -0.268 NA
ATOM     11  C   LIG    1        1.449  -1.971   2.256  0.00  0.00    +0.075 A 
ATOM     12  C   LIG    1        0.923   1.476   1.028  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1  14
ATOM     13  N   LIG    1        2.671  -0.804  -1.323  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1        1.566  -0.303  -0.671  0.00  0.00    +0.048 A 
ATOM     15  C   LIG    1        0.579  -0.245  -1.640  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1        1.180  -0.710  -2.818  0.00  0.00    +0.134 A 
ATOM     17  N   LIG    1        2.455  -1.046  -2.632  0.00  0.00    -0.179 NA
BRANCH  13  18
ATOM     18  C   LIG    1        3.996  -1.077  -0.788  0.00  0.00    +0.159 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.913   0.143  -0.924  0.00  0.00    +0.107 C 
BRANCH  19  21
ATOM     20  C   LIG    1        7.045  -1.030  -0.795  0.00  0.00    +0.104 C 
ATOM     21  N   LIG    1        6.192   0.001  -0.195  0.00  0.00    -0.307 NA
ATOM     22  C   LIG    1        6.906   1.283  -0.191  0.00  0.00    +0.104 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  13  18
ENDBRANCH   1  14
BRANCH   9  23
ATOM     23  N   LIG    1       -2.608   0.572   1.085  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -3.189  -0.113   1.546  0.00  0.00    +0.148 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.302   1.797   0.734  0.00  0.00    +0.141 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.696   1.468   0.284  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -4.959   0.902  -0.960  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.037   0.581  -2.076  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -4.978  -0.255  -2.942  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -6.347   0.079  -2.615  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -6.259   0.612  -1.355  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -7.348   0.863  -0.546  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -7.108   1.412   0.714  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -5.797   1.704   1.117  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -5.607   2.224   2.338  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   9  23
TORSDOF 7