REMARK  Name = BDB055097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.560  -3.178   1.248  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1       -0.622  -3.039   0.517  0.00  0.00    +0.108 A 
ATOM      3  C   LIG    1       -1.506  -4.074   0.273  0.00  0.00    +0.180 A 
ATOM      4  N   LIG    1       -2.571  -3.650  -0.469  0.00  0.00    -0.208 NA
ATOM      5  C   LIG    1       -2.369  -2.361  -0.699  0.00  0.00    +0.141 A 
ATOM      6  N   LIG    1       -1.313  -5.332   0.723  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -0.174  -5.484   1.440  0.00  0.00    +0.135 A 
ATOM      8  N   LIG    1       -1.191  -1.962  -0.107  0.00  0.00    -0.335 N 
ATOM      9  H   LIG    1       -0.791  -1.036  -0.109  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        0.763  -4.486   1.726  0.00  0.00    +0.082 A 
ATOM     11 CL   LIG    1        2.135  -4.922   2.683  0.00  0.00    -0.080 Cl
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1        3.033   0.171   1.911  0.00  0.00    -0.294 NA
ATOM     13  C   LIG    1        2.608  -0.627   3.071  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1        1.342  -1.472   2.774  0.00  0.00    +0.120 C 
ATOM     15  N   LIG    1        1.367  -2.065   1.419  0.00  0.00    -0.325 N 
ATOM     16  C   LIG    1        2.697  -2.118   0.797  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1        3.321  -0.696   0.746  0.00  0.00    +0.103 C 
BRANCH  12  18
ATOM     18  C   LIG    1        4.133   1.087   2.245  0.00  0.00    +0.143 C 
BRANCH  18  23
ATOM     19  C   LIG    1        5.509   4.001  -1.732  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        4.961   3.338  -0.537  0.00  0.00    +0.135 A 
ATOM     21  O   LIG    1        4.003   4.020   0.144  0.00  0.00    -0.360 OA
ATOM     22  N   LIG    1        3.594   3.276   1.235  0.00  0.00    -0.082 NA
ATOM     23  C   LIG    1        4.306   2.140   1.193  0.00  0.00    +0.098 A 
ATOM     24  C   LIG    1        5.196   2.141   0.091  0.00  0.00    +0.072 A 
ENDBRANCH  18  23
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   5  25
ATOM     25  C   LIG    1       -3.258  -1.475  -1.461  0.00  0.00    +0.018 A 
ATOM     26  C   LIG    1       -2.935  -0.138  -1.746  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1       -3.812   0.687  -2.475  0.00  0.00    -0.033 A 
ATOM     28  C   LIG    1       -5.024   0.152  -2.930  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -5.357  -1.173  -2.659  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -4.480  -1.978  -1.931  0.00  0.00    +0.011 A 
BRANCH  27  31
ATOM     31  C   LIG    1       -3.447   2.127  -2.775  0.00  0.00    +0.119 C 
BRANCH  31  32
ATOM     32  N   LIG    1       -3.845   3.136  -1.784  0.00  0.00    -0.304 NA
ATOM     33  C   LIG    1       -5.290   3.251  -1.622  0.00  0.00    +0.104 C 
ATOM     34  C   LIG    1       -3.180   2.983  -0.495  0.00  0.00    +0.104 C 
ENDBRANCH  31  32
ENDBRANCH  27  31
ENDBRANCH   5  25
TORSDOF 6