REMARK  Name = BDB019069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.097   0.334  -0.307  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1        0.850   0.994   0.520  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1        2.182   0.792   0.229  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1        2.896   1.568   1.105  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1        2.116   2.197   1.958  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1        2.619  -0.036  -0.818  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        1.744  -0.620  -1.593  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        0.837   1.854   1.594  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1        0.405  -0.424  -1.309  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.316   0.507   0.289  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1       -3.508   0.023   1.258  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1       -2.171  -0.022   1.030  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -1.558   0.405  -0.139  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -2.392   0.924  -1.125  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -3.771   0.978  -0.907  0.00  0.00    +0.044 A 
BRANCH  10  20
ATOM     16  C   LIG    1       -9.148  -1.475   1.678  0.00  0.00    +0.105 C 
ATOM     17  N   LIG    1       -8.485  -0.334   1.054  0.00  0.00    -0.302 NA
ATOM     18  C   LIG    1       -7.649   0.412   2.023  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1       -6.124   0.203   1.880  0.00  0.00    +0.122 C 
ATOM     20  N   LIG    1       -5.684   0.571   0.525  0.00  0.00    -0.313 N 
ATOM     21  C   LIG    1       -6.618   0.247  -0.567  0.00  0.00    +0.122 C 
ATOM     22  C   LIG    1       -7.690  -0.772  -0.113  0.00  0.00    +0.103 C 
ENDBRANCH  10  20
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1        3.962  -0.228  -1.061  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        4.033  -0.683  -1.972  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.749  -1.018  -0.115  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.160  -1.146  -0.610  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        7.023  -0.058  -0.717  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        6.820   1.366  -0.358  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1        8.061   1.970  -1.016  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1        9.059   0.938  -1.181  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1        8.332  -0.224  -1.154  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1        8.845  -1.457  -1.501  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1        7.997  -2.560  -1.413  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1        6.676  -2.398  -0.974  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1        5.895  -3.484  -0.896  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 5