REMARK  Name = BDB058472
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.940   0.762   1.294  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1       -0.650   0.763   0.743  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -0.390   2.049   0.270  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        0.805   2.372  -0.333  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.758   1.351  -0.452  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.510   0.037   0.013  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1       -1.517   2.840   0.522  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -1.655   4.223   0.172  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1        0.278  -0.253   0.627  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -2.500   2.052   1.155  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -3.615   2.403   1.502  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        2.477  -0.987  -0.068  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        2.065  -1.917  -0.124  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.889  -0.941  -0.131  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        4.622  -1.927  -0.818  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        6.003  -1.794  -0.877  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1        7.026  -2.923  -1.683  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        6.697  -0.777  -0.318  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        5.981   0.155   0.334  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        4.601   0.118   0.447  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        3.967  -3.032  -1.442  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        3.384  -3.917  -1.915  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  23
ATOM     23  C   LIG    1       -2.623  -0.363   1.880  0.00  0.00    +0.158 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.751  -0.934   1.002  0.00  0.00    +0.134 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -4.338  -2.066  -1.202  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1       -3.227  -1.512  -0.319  0.00  0.00    +0.030 C 
ENDBRANCH  24  26
BRANCH  24  27
ATOM     27  O   LIG    1       -4.400  -1.971   1.745  0.00  0.00    -0.390 OA
ATOM     28  H   LIG    1       -5.280  -2.102   1.349  0.00  0.00    +0.210 HD
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7