REMARK  Name = BDB056605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.991  -0.718  -0.430  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1        1.069  -1.582  -0.962  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.265  -0.355   0.071  0.00  0.00    +0.125 A 
ATOM      4  N   LIG    1        2.425  -0.007   1.366  0.00  0.00    -0.239 NA
ATOM      5  C   LIG    1        3.648   0.341   1.841  0.00  0.00    +0.123 A 
ATOM      6  C   LIG    1        4.760   0.355   0.997  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        4.577   0.005  -0.338  0.00  0.00    +0.052 A 
ATOM      8  N   LIG    1        5.801   0.104  -0.957  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1        5.974  -0.088  -1.933  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        6.755   0.498  -0.057  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        6.140   0.662   1.165  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        3.327  -0.359  -0.837  0.00  0.00    +0.070 A 
BRANCH  10  13
ATOM     13  C   LIG    1        8.248   0.713  -0.380  0.00  0.00    +0.036 A 
ATOM     14  C   LIG    1        8.843   0.547  -1.607  0.00  0.00    +0.118 A 
ATOM     15  N   LIG    1       10.163   0.846  -1.421  0.00  0.00    -0.274 N 
ATOM     16  C   LIG    1       11.208   0.824  -2.416  0.00  0.00    +0.172 C 
ATOM     17  N   LIG    1       10.464   1.194  -0.156  0.00  0.00    -0.179 NA
ATOM     18  C   LIG    1        9.290   1.112   0.478  0.00  0.00    +0.144 A 
ENDBRANCH  10  13
ENDBRANCH   1   3
BRANCH   1  23
ATOM     19  C   LIG    1       -2.839  -0.454   1.359  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -2.575  -1.454   0.423  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1       -1.304  -1.535  -0.150  0.00  0.00    +0.063 A 
ATOM     22 CL   LIG    1       -1.022  -2.772  -1.330  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1       -0.267  -0.651   0.220  0.00  0.00    +0.051 A 
ATOM     24  C   LIG    1       -0.565   0.345   1.162  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1       -1.833   0.434   1.744  0.00  0.00    +0.015 A 
BRANCH  19  30
ATOM     26  C   LIG    1       -7.809   0.290  -0.287  0.00  0.00    +0.121 C 
ATOM     27  C   LIG    1       -6.469   0.967  -0.603  0.00  0.00    +0.050 C 
ATOM     28  C   LIG    1       -5.288   0.077  -0.232  0.00  0.00    +0.110 C 
ATOM     29  N   LIG    1       -5.303  -0.269   1.194  0.00  0.00    -0.297 N 
ATOM     30  C   LIG    1       -4.169  -0.351   2.000  0.00  0.00    +0.247 C 
ATOM     31  O   LIG    1       -4.214  -0.351   3.228  0.00  0.00    -0.270 OA
ATOM     32  C   LIG    1       -6.606  -0.311   1.853  0.00  0.00    +0.110 C 
ATOM     33  C   LIG    1       -7.708  -0.700   0.880  0.00  0.00    +0.050 C 
BRANCH  26  35
ATOM     34  C   LIG    1       -9.623  -0.733  -1.453  0.00  0.00    +0.194 C 
ATOM     35  O   LIG    1       -8.245  -0.383  -1.476  0.00  0.00    -0.380 OA
ENDBRANCH  26  35
ENDBRANCH  19  30
ENDBRANCH   1  23
TORSDOF 5