REMARK  Name = BDB045683
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.272  -2.488   0.278  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1       -0.543  -1.364   0.340  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        0.785  -1.415   0.132  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1        1.414  -2.603  -0.137  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        0.610  -3.713  -0.183  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -0.719  -3.681   0.017  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        1.429  -0.181   0.213  0.00  0.00    -0.283 N 
ATOM      8  H   LIG    1        0.722   0.519   0.415  0.00  0.00    +0.155 HD
BRANCH   7   9
ATOM      9  C   LIG    1        2.716   0.191   0.075  0.00  0.00    +0.146 A 
ATOM     10  N   LIG    1        3.776  -0.584  -0.183  0.00  0.00    -0.158 NA
ATOM     11  N   LIG    1        4.813   0.268  -0.220  0.00  0.00    -0.280 N 
ATOM     12  H   LIG    1        5.738  -0.102  -0.405  0.00  0.00    +0.189 HD
ATOM     13  C   LIG    1        4.458   1.560   0.010  0.00  0.00    +0.041 A 
ATOM     14  C   LIG    1        3.100   1.552   0.199  0.00  0.00    +0.068 A 
BRANCH  13  15
ATOM     15  C   LIG    1        5.394   2.785   0.024  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1        6.593   2.776   0.933  0.00  0.00    +0.010 C 
ATOM     17  C   LIG    1        5.425   3.665   1.244  0.00  0.00    +0.010 C 
ENDBRANCH  13  15
ENDBRANCH   7   9
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  N   LIG    1       -2.647  -2.405   0.472  0.00  0.00    -0.295 N 
BRANCH  18  20
ATOM     19  C   LIG    1       -3.091  -4.036   2.286  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1       -3.337  -3.638   0.837  0.00  0.00    +0.105 C 
ENDBRANCH  18  20
BRANCH  18  21
ATOM     21  C   LIG    1       -3.149  -1.143   1.020  0.00  0.00    +0.144 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.228  -0.055  -0.032  0.00  0.00    -0.010 A 
ATOM     23  C   LIG    1       -2.659   1.216   0.157  0.00  0.00    +0.073 A 
ATOM     24 CL   LIG    1       -1.820   1.714   1.567  0.00  0.00    -0.081 Cl
ATOM     25  C   LIG    1       -2.742   2.199  -0.848  0.00  0.00    +0.107 A 
ATOM     26  C   LIG    1       -3.416   1.883  -2.027  0.00  0.00    +0.067 A 
ATOM     27  N   LIG    1       -3.321   3.016  -2.794  0.00  0.00    -0.344 N 
ATOM     28  H   LIG    1       -3.697   3.136  -3.723  0.00  0.00    +0.167 HD
ATOM     29  C   LIG    1       -2.627   3.952  -2.084  0.00  0.00    +0.197 A 
ATOM     30  C   LIG    1       -4.011   0.643  -2.261  0.00  0.00    +0.028 A 
ATOM     31  N   LIG    1       -2.265   3.496  -0.908  0.00  0.00    -0.234 NA
ATOM     32  C   LIG    1       -3.904  -0.313  -1.241  0.00  0.00    +0.009 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 7