REMARK  Name = BDB034442
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.043  -0.967   0.863  0.00  0.00    -0.312 NA
ATOM      2  H   LIG    1       -0.946   0.040   0.990  0.00  0.00    +0.122 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.268  -1.590   0.698  0.00  0.00    +0.083 C 
BRANCH   3   4
ATOM      4  C   LIG    1        1.182  -0.824  -0.261  0.00  0.00    +0.034 C 
BRANCH   4   5
ATOM      5  C   LIG    1        2.566  -1.473  -0.324  0.00  0.00    +0.103 C 
BRANCH   5   6
ATOM      6  N   LIG    1        3.400  -0.849  -1.365  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1        4.067  -1.532  -1.722  0.00  0.00    +0.146 HD
BRANCH   6  13
ATOM      8 CL   LIG    1        9.305   0.133   2.002  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        7.804   0.144   1.160  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1        7.155   1.351   0.915  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        5.945   1.395   0.241  0.00  0.00    +0.074 A 
ATOM     12  C   LIG    1        5.358   0.187  -0.209  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1        4.121   0.284  -0.899  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        3.538   1.538  -1.079  0.00  0.00    +0.043 A 
ATOM     15  C   LIG    1        4.199   2.648  -0.599  0.00  0.00    +0.113 A 
ATOM     16  C   LIG    1        6.031  -1.032   0.051  0.00  0.00    +0.013 A 
ATOM     17  N   LIG    1        5.379   2.596   0.050  0.00  0.00    -0.255 NA
ATOM     18  C   LIG    1        7.247  -1.052   0.732  0.00  0.00    +0.021 A 
ENDBRANCH   6  13
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1  19
ATOM     19  C   LIG    1       -1.950  -1.228  -0.253  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.245  -0.440  -0.103  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1       -3.371   0.849  -0.722  0.00  0.00    -0.013 A 
ATOM     22  C   LIG    1       -4.604   1.532  -0.621  0.00  0.00    -0.017 A 
ATOM     23  C   LIG    1       -4.776   2.790  -1.226  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -3.741   3.399  -1.929  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -2.517   2.758  -2.032  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.665   0.960   0.089  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1       -5.542  -0.274   0.737  0.00  0.00    -0.017 A 
ATOM     28  C   LIG    1       -6.631  -0.791   1.461  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -6.537  -2.005   2.136  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.347  -2.714   2.100  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -4.260  -2.212   1.379  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1       -2.336   1.506  -1.437  0.00  0.00    +0.009 A 
ATOM     33  C   LIG    1       -4.324  -0.989   0.666  0.00  0.00    -0.013 A 
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 7