REMARK  Name = BDB007660
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.094   3.492  -0.099  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.603   2.321   0.117  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.108   1.452   0.244  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.456   4.531  -0.450  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.616   2.425   0.848  0.00  0.00    +0.122 A 
ATOM      6  N   LIG    1        4.340   3.436   0.324  0.00  0.00    -0.240 NA
ATOM      7  C   LIG    1        3.694   4.435  -0.317  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        2.326   4.484  -0.476  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        1.573   3.447   0.065  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        2.225   2.420   0.751  0.00  0.00    +0.056 A 
BRANCH   5  11
ATOM     11  N   LIG    1        4.262   1.378   1.528  0.00  0.00    -0.317 N 
ATOM     12  C   LIG    1        5.663   1.662   1.841  0.00  0.00    +0.130 C 
BRANCH  11  13
ATOM     13  C   LIG    1        4.013   0.039   0.959  0.00  0.00    +0.121 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.360  -0.874   2.024  0.00  0.00    +0.102 C 
BRANCH  14  16
ATOM     15  C   LIG    1        1.962  -2.261   0.573  0.00  0.00    +0.104 C 
ATOM     16  N   LIG    1        2.981  -2.240   1.617  0.00  0.00    -0.307 NA
ATOM     17  C   LIG    1        4.136  -3.051   1.240  0.00  0.00    +0.104 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  C   LIG    1       -2.039   2.251  -0.084  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.453   2.172  -1.562  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -3.861   2.417  -1.685  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -4.007   3.345  -1.425  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.073   0.845  -2.273  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -2.577  -0.435  -1.770  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.015  -0.501  -1.528  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -4.456  -1.926  -1.273  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -3.665  -2.725  -0.428  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -4.066  -4.027  -0.119  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.242  -4.540  -0.665  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.027  -3.751  -1.507  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.433  -2.100   0.166  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -5.640  -2.444  -1.806  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -1.726  -1.143  -0.816  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 10