REMARK  Name = BDB022216
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.553  -1.763   0.396  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -1.988  -1.362   0.415  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -2.993  -2.346   0.337  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -4.339  -1.947   0.318  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -4.693  -0.598   0.397  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -3.718   0.393   0.506  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -2.632  -3.726   0.302  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -3.660  -4.752   0.230  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -1.311  -4.132   0.381  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -0.939  -5.304   0.401  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -2.377  -0.007   0.525  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -0.281  -3.075   0.416  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        0.412  -0.761   0.356  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        0.097   0.083  -0.132  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.857  -0.937   0.127  0.00  0.00    +0.154 C 
ATOM     16  C   LIG    1        2.567  -1.112   1.464  0.00  0.00    +0.038 C 
BRANCH  15  19
ATOM     17  N   LIG    1        3.733   0.245  -0.969  0.00  0.00    -0.312 N 
ATOM     18  H   LIG    1        4.177  -0.666  -1.006  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        2.400   0.306  -0.621  0.00  0.00    +0.233 C 
ATOM     20  O   LIG    1        1.678   1.264  -0.902  0.00  0.00    -0.274 OA
BRANCH  17  21
ATOM     21  C   LIG    1        4.317   1.245  -1.846  0.00  0.00    +0.132 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.841   1.162  -1.839  0.00  0.00    +0.178 C 
BRANCH  22  24
ATOM     23  C   LIG    1        7.648  -0.276  -2.317  0.00  0.00    +0.194 C 
ATOM     24  O   LIG    1        6.232  -0.155  -2.245  0.00  0.00    -0.381 OA
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   6  25
ATOM     25  N   LIG    1       -4.126   1.733   0.652  0.00  0.00    -0.313 N 
ATOM     26  H   LIG    1       -5.008   1.925   0.182  0.00  0.00    +0.152 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -3.480   2.855   1.220  0.00  0.00    +0.053 A 
ATOM     28  C   LIG    1       -3.697   4.154   0.724  0.00  0.00    +0.110 A 
ATOM     29  C   LIG    1       -3.000   5.204   1.308  0.00  0.00    +0.148 A 
ATOM     30 CL   LIG    1       -3.173   6.845   0.808  0.00  0.00    -0.061 Cl
ATOM     31  N   LIG    1       -2.119   5.066   2.326  0.00  0.00    -0.242 NA
ATOM     32  C   LIG    1       -1.919   3.816   2.782  0.00  0.00    +0.114 A 
ATOM     33  C   LIG    1       -2.563   2.702   2.270  0.00  0.00    +0.044 A 
BRANCH  28  34
ATOM     34  C   LIG    1       -4.606   4.389  -0.351  0.00  0.00    +0.104 C 
ATOM     35  N   LIG    1       -5.372   4.521  -1.213  0.00  0.00    -0.191 NA
ENDBRANCH  28  34
ENDBRANCH  25  27
ENDBRANCH   6  25
TORSDOF 9