REMARK  Name = BDB050642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.686  -1.782   0.983  0.00  0.00    -0.291 N 
ATOM      2  C   LIG    1       -2.876  -1.041   0.851  0.00  0.00    +0.282 C 
ATOM      3  O   LIG    1       -3.956  -1.639   0.769  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -2.896   0.413   0.807  0.00  0.00    +0.195 A 
ATOM      5  N   LIG    1       -4.015   1.101   0.387  0.00  0.00    -0.334 N 
ATOM      6  H   LIG    1       -4.866   0.654   0.075  0.00  0.00    +0.168 HD
ATOM      7  C   LIG    1       -3.773   2.443   0.477  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1       -2.485   2.519   0.987  0.00  0.00    +0.090 A 
ATOM      9  C   LIG    1       -1.910   3.777   1.216  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -2.662   4.921   0.917  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -3.957   4.813   0.404  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -4.546   3.565   0.172  0.00  0.00    +0.028 A 
ATOM     13  N   LIG    1       -1.964   1.262   1.198  0.00  0.00    -0.224 NA
ENDBRANCH   2   4
BRANCH   1  14
ATOM     14  C   LIG    1       -0.289  -1.292   0.925  0.00  0.00    +0.091 C 
ATOM     15  C   LIG    1        0.091  -0.505  -0.340  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1        1.489   0.104  -0.149  0.00  0.00    +0.091 C 
ATOM     17  C   LIG    1        1.476   1.089   1.033  0.00  0.00    +0.093 C 
ATOM     18  N   LIG    1        0.557   0.775   2.136  0.00  0.00    -0.313 NA
ATOM     19  H   LIG    1       -0.343   1.239   1.924  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1        0.232  -0.649   2.237  0.00  0.00    +0.103 C 
BRANCH  16  21
ATOM     21  C   LIG    1        1.962   0.803  -1.425  0.00  0.00    +0.220 C 
ATOM     22  N   LIG    1        3.317   1.076  -1.574  0.00  0.00    -0.297 N 
ATOM     23  C   LIG    1        3.719   1.941  -2.690  0.00  0.00    +0.136 C 
ATOM     24  C   LIG    1        5.128   1.614  -3.188  0.00  0.00    +0.179 C 
ATOM     25  O   LIG    1        6.076   1.631  -2.111  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1        5.724   0.649  -1.128  0.00  0.00    +0.179 C 
ATOM     27  C   LIG    1        4.340   0.928  -0.532  0.00  0.00    +0.136 C 
ATOM     28  O   LIG    1        1.152   1.110  -2.304  0.00  0.00    -0.275 OA
ENDBRANCH  16  21
ENDBRANCH   1  14
BRANCH   1  29
ATOM     29  C   LIG    1       -1.859  -3.205   1.315  0.00  0.00    +0.111 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -2.623  -5.480   0.575  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1       -2.134  -4.110   0.097  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1       -0.900  -4.289  -0.786  0.00  0.00    +0.009 C 
ENDBRANCH  29  31
ENDBRANCH   1  29
TORSDOF 5