REMARK  Name = BDB058459
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.938   0.820   1.376  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1       -0.665   0.787   0.787  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -0.282   2.101   0.522  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        0.928   2.398  -0.063  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.766   1.321  -0.385  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.392  -0.020  -0.130  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1       -1.315   2.946   0.941  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -1.315   4.376   0.832  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1        0.150  -0.283   0.475  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -2.363   2.165   1.473  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -3.426   2.566   1.921  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        2.237  -1.112  -0.421  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        1.724  -1.980  -0.568  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.641  -1.205  -0.557  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        4.228  -2.138  -1.433  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        5.611  -2.146  -1.550  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1        6.464  -3.230  -2.583  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        6.439  -1.313  -0.880  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        5.861  -0.427  -0.049  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        4.492  -0.335   0.137  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        3.424  -3.047  -2.185  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        2.724  -3.773  -2.760  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  23
ATOM     23  C   LIG    1       -2.716  -0.322   1.792  0.00  0.00    +0.129 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.826  -0.691   0.805  0.00  0.00    +0.053 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -4.470  -1.582  -1.458  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1       -3.312  -1.216  -0.537  0.00  0.00    +0.113 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -2.513  -2.377  -0.314  0.00  0.00    -0.392 OA
ATOM     28  H   LIG    1       -2.289  -2.748  -1.187  0.00  0.00    +0.210 HD
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7