REMARK  Name = BDB062312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.309  -0.560   0.729  0.00  0.00    +0.076 C 
ATOM      2  N   LIG    1       -1.920  -0.311   0.307  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1       -1.282  -0.891   0.850  0.00  0.00    +0.146 HD
ATOM      4  C   LIG    1       -1.389   0.988   0.178  0.00  0.00    +0.084 A 
ATOM      5  C   LIG    1        0.095   1.111   0.156  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.700   2.370   0.286  0.00  0.00    +0.054 A 
ATOM      7  N   LIG    1       -0.111   3.537   0.340  0.00  0.00    -0.308 N 
ATOM      8  C   LIG    1       -1.488   3.478   0.171  0.00  0.00    +0.295 A 
ATOM      9  O   LIG    1       -2.196   4.484   0.092  0.00  0.00    -0.264 OA
ATOM     10  C   LIG    1        0.503   4.851   0.467  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        2.101   2.454   0.321  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        2.899   1.313   0.185  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        2.324   0.060   0.002  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1        0.924  -0.020  -0.021  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -2.127   2.120   0.100  0.00  0.00    +0.207 A 
ATOM     16  O   LIG    1       -3.518   2.128   0.004  0.00  0.00    -0.485 OA
ATOM     17  C   LIG    1       -3.998   1.210  -0.977  0.00  0.00    +0.231 C 
ATOM     18  C   LIG    1       -4.291  -0.158  -0.376  0.00  0.00    +0.063 C 
ENDROOT
BRANCH   1  20
ATOM     19  C   LIG    1       -4.822  -2.306   1.821  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -3.453  -2.039   1.189  0.00  0.00    +0.003 C 
ATOM     21  C   LIG    1       -3.186  -3.064   0.081  0.00  0.00    +0.009 C 
ENDBRANCH   1  20
BRANCH  13  22
ATOM     22  N   LIG    1        3.076  -1.110  -0.215  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        2.590  -1.954   0.082  0.00  0.00    +0.152 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.383  -1.307  -0.717  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1        5.173  -2.392  -0.289  0.00  0.00    +0.110 A 
ATOM     26  C   LIG    1        6.464  -2.499  -0.789  0.00  0.00    +0.148 A 
ATOM     27 CL   LIG    1        7.540  -3.773  -0.355  0.00  0.00    -0.061 Cl
ATOM     28  N   LIG    1        7.020  -1.629  -1.662  0.00  0.00    -0.242 NA
ATOM     29  C   LIG    1        6.252  -0.599  -2.059  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1        4.954  -0.399  -1.617  0.00  0.00    +0.044 A 
BRANCH  25  31
ATOM     31  C   LIG    1        4.663  -3.355   0.634  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1        4.189  -4.116   1.370  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  22  24
ENDBRANCH  13  22
TORSDOF 4