REMARK  Name = BDB065104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.890   0.365  -0.674  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -1.587   0.075   0.506  0.00  0.00    +0.164 A 
ATOM      3  C   LIG    1       -1.041  -0.834   1.414  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        0.176  -1.460   1.189  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        0.913  -1.167   0.018  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.180  -1.809  -0.155  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        2.555  -2.766   0.790  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1        1.750  -2.982   1.895  0.00  0.00    +0.142 A 
ATOM      9  N   LIG    1        0.589  -2.333   2.114  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        0.343  -0.255  -0.908  0.00  0.00    +0.061 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -0.838   1.554  -2.752  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -1.492   1.253  -1.528  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   8  13
ATOM     13  C   LIG    1        2.129  -3.942   2.896  0.00  0.00    +0.119 C 
ATOM     14  N   LIG    1        2.476  -4.725   3.682  0.00  0.00    -0.189 NA
ENDBRANCH   8  13
BRANCH   6  15
ATOM     15  N   LIG    1        2.949  -1.572  -1.302  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1        2.745  -0.680  -1.743  0.00  0.00    +0.146 HD
BRANCH  15  17
ATOM     17  C   LIG    1        4.366  -1.912  -1.438  0.00  0.00    +0.105 C 
BRANCH  17  18
ATOM     18  C   LIG    1        5.268  -0.724  -1.064  0.00  0.00    +0.008 C 
ATOM     19  C   LIG    1        6.700  -0.942  -1.564  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1        7.567   0.294  -1.286  0.00  0.00    +0.084 C 
ATOM     21  N   LIG    1        7.381   0.898   0.040  0.00  0.00    -0.305 NA
ATOM     22  C   LIG    1        6.798   2.235  -0.038  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1        6.651   0.030   0.963  0.00  0.00    +0.084 C 
ATOM     24  C   LIG    1        5.281  -0.429   0.448  0.00  0.00    +0.020 C 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   6  15
BRANCH   2  25
ATOM     25  O   LIG    1       -2.781   0.727   0.678  0.00  0.00    -0.488 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -3.578   0.380   1.808  0.00  0.00    +0.230 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.884   1.173   1.766  0.00  0.00    +0.056 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.697   0.865   0.500  0.00  0.00    +0.087 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -6.984   1.588   0.502  0.00  0.00    -0.302 NA
ATOM     30  C   LIG    1       -7.995   0.935   1.349  0.00  0.00    +0.084 C 
ATOM     31  C   LIG    1       -8.657  -0.131   0.483  0.00  0.00    +0.017 C 
ATOM     32  C   LIG    1       -8.336   0.262  -0.951  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1       -7.599   1.586  -0.835  0.00  0.00    +0.084 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 10