REMARK  Name = BDB034465
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.293   0.253  -0.693  0.00  0.00    -0.315 NA
ATOM      2  H   LIG    1       -0.478   0.019   0.280  0.00  0.00    +0.122 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.254  -0.406  -1.583  0.00  0.00    +0.089 C 
BRANCH   3   7
ATOM      4  C   LIG    1       -4.977   1.252   0.026  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1       -4.031   1.999  -0.796  0.00  0.00    +0.019 C 
ATOM      6  C   LIG    1       -3.016   1.404  -1.440  0.00  0.00    -0.019 C 
ATOM      7  C   LIG    1       -2.742  -0.079  -1.275  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1       -3.226  -0.556   0.131  0.00  0.00    +0.051 C 
ATOM      9  C   LIG    1       -3.129  -2.063   0.319  0.00  0.00    -0.018 C 
ATOM     10  C   LIG    1       -4.093  -2.787   0.904  0.00  0.00    -0.004 C 
ATOM     11  C   LIG    1       -5.296  -2.159   1.384  0.00  0.00    +0.000 C 
ATOM     12  C   LIG    1       -5.547  -0.860   1.170  0.00  0.00    +0.006 C 
ATOM     13  C   LIG    1       -4.624   0.011   0.449  0.00  0.00    -0.019 C 
BRANCH   4  15
ATOM     14  C   LIG    1       -6.367   2.476   1.649  0.00  0.00    +0.129 C 
ATOM     15  N   LIG    1       -6.201   1.867   0.324  0.00  0.00    -0.336 N 
ATOM     16  C   LIG    1       -6.958   2.558  -0.725  0.00  0.00    +0.129 C 
ENDBRANCH   4  15
ENDBRANCH   3   7
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1        1.103  -0.039  -1.028  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.558  -1.417  -0.535  0.00  0.00    +0.034 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.022  -1.699  -0.886  0.00  0.00    +0.103 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.906  -0.816  -0.131  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        3.656  -0.770   0.855  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1        5.306  -0.903  -0.277  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        6.157  -0.117   0.554  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1        7.557  -0.224   0.363  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1        8.415   0.508   1.169  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1        7.930   1.362   2.155  0.00  0.00    +0.043 A 
ATOM     27  C   LIG    1        6.564   1.503   2.349  0.00  0.00    +0.021 A 
ATOM     28 CL   LIG    1        9.028   2.257   3.132  0.00  0.00    -0.083 Cl
ATOM     29  N   LIG    1        8.106  -1.003  -0.578  0.00  0.00    -0.255 NA
ATOM     30  C   LIG    1        7.278  -1.687  -1.388  0.00  0.00    +0.113 A 
ATOM     31  C   LIG    1        5.684   0.771   1.553  0.00  0.00    +0.013 A 
ATOM     32  C   LIG    1        5.900  -1.661  -1.288  0.00  0.00    +0.043 A 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8