REMARK  Name = BDB057296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.418  -2.246  -0.381  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.383  -2.629   0.672  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.429  -2.053   2.023  0.00  0.00    +0.165 C 
ATOM      4  C   LIG    1        1.341  -3.017   2.785  0.00  0.00    +0.034 C 
ATOM      5  C   LIG    1        2.324  -3.489   1.719  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        1.462  -3.583   0.469  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -0.213  -2.669  -1.525  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.996  -0.667   1.988  0.00  0.00    +0.248 A 
ATOM      9  O   LIG    1        0.874   0.064   3.130  0.00  0.00    -0.336 OA
ATOM     10  N   LIG    1        1.418   1.315   2.861  0.00  0.00    -0.054 NA
ATOM     11  C   LIG    1        1.808   1.233   1.576  0.00  0.00    +0.220 A 
ATOM     12  N   LIG    1        1.577  -0.009   1.009  0.00  0.00    -0.188 NA
BRANCH  11  13
ATOM     13  C   LIG    1        2.420   2.330   0.820  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        2.422   3.564   1.390  0.00  0.00    -0.252 NA
ATOM     15  C   LIG    1        2.972   4.576   0.684  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        3.528   4.424  -0.575  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        3.521   3.158  -1.147  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        2.959   2.095  -0.444  0.00  0.00    +0.031 A 
ENDBRANCH  11  13
ENDBRANCH   3   8
BRANCH   1  19
ATOM     19  C   LIG    1       -1.587  -1.268  -0.118  0.00  0.00    +0.162 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -1.924   1.032  -0.986  0.00  0.00    +0.230 C 
ATOM     21  N   LIG    1       -1.522  -0.267  -1.179  0.00  0.00    -0.302 N 
ATOM     22  H   LIG    1       -1.141  -0.575  -2.067  0.00  0.00    +0.150 HD
ATOM     23  O   LIG    1       -2.469   1.389   0.060  0.00  0.00    -0.274 OA
BRANCH  20  24
ATOM     24  C   LIG    1       -1.718   1.994  -2.187  0.00  0.00    +0.137 C 
ATOM     25  C   LIG    1       -0.408   1.773  -2.943  0.00  0.00    +0.034 C 
BRANCH  24  27
ATOM     26  C   LIG    1       -0.768   3.909  -0.952  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1       -1.885   3.404  -1.747  0.00  0.00    -0.309 NA
ATOM     28  H   LIG    1       -2.713   3.418  -1.142  0.00  0.00    +0.122 HD
ENDBRANCH  24  27
ENDBRANCH  20  24
ENDBRANCH  19  21
BRANCH  19  29
ATOM     29  C   LIG    1       -2.970  -1.962  -0.073  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1       -3.314  -2.742  -1.346  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1       -3.107  -2.874   1.148  0.00  0.00    +0.009 C 
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 7