REMARK  Name = BDB034472
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.221  -1.756  -0.395  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -1.352  -0.868  -0.666  0.00  0.00    -0.343 N 
ATOM      3  H   LIG    1       -1.140  -0.219  -1.421  0.00  0.00    +0.146 HD
BRANCH   2   4
ATOM      4  C   LIG    1       -2.680  -1.321  -0.743  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -3.720  -0.414  -1.107  0.00  0.00    +0.021 A 
ATOM      6  C   LIG    1       -5.049  -0.906  -1.150  0.00  0.00    +0.074 A 
ATOM      7  C   LIG    1       -6.081  -0.058  -1.520  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -5.843   1.276  -1.838  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -4.557   1.790  -1.785  0.00  0.00    +0.021 A 
ATOM     10 CL   LIG    1       -7.153   2.298  -2.288  0.00  0.00    -0.083 Cl
ATOM     11  N   LIG    1       -5.369  -2.168  -0.836  0.00  0.00    -0.255 NA
ATOM     12  C   LIG    1       -4.378  -2.987  -0.443  0.00  0.00    +0.113 A 
ATOM     13  C   LIG    1       -3.504   0.951  -1.419  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -3.049  -2.614  -0.370  0.00  0.00    +0.043 A 
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        0.013  -1.918   1.108  0.00  0.00    +0.034 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.510  -0.640   1.790  0.00  0.00    +0.083 C 
BRANCH  16  17
ATOM     17  N   LIG    1        1.869  -0.305   1.357  0.00  0.00    -0.312 NA
ATOM     18  H   LIG    1        2.510  -1.044   1.644  0.00  0.00    +0.122 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.313   0.953   1.958  0.00  0.00    +0.116 C 
BRANCH  19  22
ATOM     20  C   LIG    1        5.283   1.887  -0.252  0.00  0.00    +0.052 A 
ATOM     21  C   LIG    1        3.984   1.586   0.170  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        3.719   1.284   1.516  0.00  0.00    -0.032 A 
ATOM     23  C   LIG    1        4.780   1.286   2.432  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        6.077   1.589   2.015  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        6.330   1.890   0.675  0.00  0.00    +0.019 A 
BRANCH  20  27
ATOM     26  N   LIG    1        5.750   2.436  -2.744  0.00  0.00    -0.191 NA
ATOM     27  C   LIG    1        5.540   2.190  -1.629  0.00  0.00    +0.099 C 
ENDBRANCH  20  27
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8