REMARK  Name = BDB046560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.701  -0.476   0.345  0.00  0.00    +0.012 A 
ATOM      2  C   LIG    1        2.093   0.797  -0.115  0.00  0.00    +0.079 A 
ATOM      3  N   LIG    1        1.194   1.794  -0.357  0.00  0.00    -0.251 NA
ATOM      4  C   LIG    1       -0.115   1.545  -0.118  0.00  0.00    +0.157 A 
ATOM      5  C   LIG    1       -0.602   0.338   0.350  0.00  0.00    +0.139 A 
ATOM      6  C   LIG    1        0.326  -0.675   0.577  0.00  0.00    +0.057 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        4.391  -3.756   0.989  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        4.250  -3.210  -0.284  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.374  -2.143  -0.496  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        2.629  -1.599   0.564  0.00  0.00    -0.016 A 
ATOM     11  C   LIG    1        2.780  -2.168   1.840  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        3.655  -3.236   2.051  0.00  0.00    +0.001 A 
ENDBRANCH   1  10
BRANCH   2  13
ATOM     13  C   LIG    1        3.491   1.194  -0.382  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        4.503   1.054   0.583  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        5.820   1.433   0.309  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.148   1.970  -0.932  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.160   2.136  -1.899  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        3.844   1.755  -1.623  0.00  0.00    +0.010 A 
ENDBRANCH   2  13
BRANCH   5  19
ATOM     19  O   LIG    1       -1.900   0.017   0.614  0.00  0.00    -0.490 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -2.879   1.031   0.372  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.266   0.466   0.716  0.00  0.00    +0.029 C 
ATOM     22  C   LIG    1       -5.362   1.537   0.580  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1       -6.045   1.476  -0.783  0.00  0.00    +0.081 C 
ATOM     24  N   LIG    1       -6.670   0.185  -1.065  0.00  0.00    -0.316 NA
ATOM     25  H   LIG    1       -7.669   0.224  -0.865  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -6.081  -0.943  -0.342  0.00  0.00    +0.081 C 
ATOM     27  C   LIG    1       -4.580  -0.777  -0.137  0.00  0.00    +0.022 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 5