REMARK  Name = BDB022212
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.201  -1.694   0.025  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.270  -1.468   0.066  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -1.142  -2.535   0.350  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -2.522  -2.289   0.411  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -3.041  -1.012   0.176  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -2.202   0.051  -0.146  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -0.613  -3.845   0.550  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -1.503  -4.962   0.826  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1        0.743  -4.103   0.450  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1        1.256  -5.214   0.573  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -0.822  -0.194  -0.194  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        1.633  -2.951   0.194  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        2.017  -0.575  -0.165  0.00  0.00    -0.334 N 
ATOM     14  H   LIG    1        1.728   0.152   0.494  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.486  -0.577  -0.273  0.00  0.00    +0.135 C 
ATOM     16  C   LIG    1        3.922  -1.172  -1.617  0.00  0.00    +0.036 C 
BRANCH  15  20
ATOM     17  C   LIG    1        5.846   3.506   1.287  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1        5.016   2.581   0.490  0.00  0.00    +0.148 A 
ATOM     19  N   LIG    1        4.836   1.267   0.836  0.00  0.00    -0.215 NA
ATOM     20  C   LIG    1        4.057   0.804  -0.120  0.00  0.00    +0.145 A 
ATOM     21  N   LIG    1        3.775   1.819  -0.990  0.00  0.00    -0.261 N 
ATOM     22  H   LIG    1        3.191   1.802  -1.819  0.00  0.00    +0.190 HD
ATOM     23  N   LIG    1        4.375   2.961  -0.621  0.00  0.00    -0.158 NA
ENDBRANCH  15  20
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   6  24
ATOM     24  N   LIG    1       -2.666   1.361  -0.371  0.00  0.00    -0.313 N 
ATOM     25  H   LIG    1       -2.075   1.880  -1.019  0.00  0.00    +0.152 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.857   2.014   0.023  0.00  0.00    +0.053 A 
ATOM     27  C   LIG    1       -4.460   2.993  -0.790  0.00  0.00    +0.110 A 
ATOM     28  C   LIG    1       -5.651   3.561  -0.356  0.00  0.00    +0.148 A 
ATOM     29 CL   LIG    1       -6.499   4.767  -1.248  0.00  0.00    -0.061 Cl
ATOM     30  N   LIG    1       -6.276   3.238   0.798  0.00  0.00    -0.242 NA
ATOM     31  C   LIG    1       -5.684   2.303   1.563  0.00  0.00    +0.114 A 
ATOM     32  C   LIG    1       -4.500   1.672   1.220  0.00  0.00    +0.044 A 
BRANCH  27  33
ATOM     33  C   LIG    1       -3.867   3.389  -2.027  0.00  0.00    +0.104 C 
ATOM     34  N   LIG    1       -3.329   3.682  -3.013  0.00  0.00    -0.191 NA
ENDBRANCH  27  33
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 6