REMARK  Name = BDB002935
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.559   1.575  -0.458  0.00  0.00    +0.091 C 
ATOM      2  C   LIG    1        0.094   0.196  -0.129  0.00  0.00    +0.111 C 
ATOM      3  C   LIG    1       -1.317   0.310  -0.656  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1       -2.353  -0.471   0.145  0.00  0.00    +0.160 C 
ATOM      5  N   LIG    1       -3.469  -0.662  -0.781  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.801  -0.613  -0.433  0.00  0.00    +0.243 C 
ATOM      7  O   LIG    1       -5.711  -0.506  -1.252  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -3.043  -0.410  -2.168  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1       -1.524  -0.197  -2.079  0.00  0.00    +0.084 C 
ATOM     10  O   LIG    1       -1.615   1.714  -0.600  0.00  0.00    -0.385 OA
ATOM     11  N   LIG    1       -0.393   2.418  -0.708  0.00  0.00    -0.088 NA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1        4.326   1.413  -0.030  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        2.975   1.051  -0.014  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1        1.994   1.943  -0.467  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        2.365   3.208  -0.933  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        3.708   3.576  -0.954  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        4.682   2.682  -0.506  0.00  0.00    +0.023 A 
BRANCH  12  19
ATOM     18  C   LIG    1        5.272  -0.699   0.934  0.00  0.00    +0.243 C 
ATOM     19  N   LIG    1        5.376   0.573   0.405  0.00  0.00    -0.282 N 
ATOM     20  H   LIG    1        6.298   0.975   0.331  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1        4.223  -1.305   1.131  0.00  0.00    -0.270 OA
BRANCH  18  23
ATOM     22  C   LIG    1        6.556  -2.487   1.981  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1        6.593  -1.342   1.277  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        7.891  -0.751   0.823  0.00  0.00    +0.048 C 
ENDBRANCH  18  23
ENDBRANCH  12  19
ENDBRANCH   1  14
BRANCH   8  25
ATOM     25  C   LIG    1       -3.347  -1.538  -3.181  0.00  0.00    +0.231 C 
ATOM     26  O   LIG    1       -2.604  -1.825  -4.118  0.00  0.00    -0.274 OA
ATOM     27  N   LIG    1       -4.567  -2.139  -3.086  0.00  0.00    -0.328 N 
ATOM     28  H   LIG    1       -5.310  -1.657  -2.578  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1       -4.844  -2.736  -3.852  0.00  0.00    +0.145 HD
ENDBRANCH   8  25
BRANCH   6  30
ATOM     30  C   LIG    1       -5.118  -0.742   1.016  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1       -5.514   0.385   1.637  0.00  0.00    -0.022 C 
ATOM     32  C   LIG    1       -5.906   0.527   3.071  0.00  0.00    +0.035 C 
ATOM     33  C   LIG    1       -5.041  -2.123   1.579  0.00  0.00    +0.049 C 
ENDBRANCH   6  30
TORSDOF 5