REMARK  Name = BDB032446
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.852   0.895  -1.594  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        1.387  -0.351  -1.712  0.00  0.00    -0.250 NA
ATOM      3  C   LIG    1        0.569  -1.310  -2.191  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1       -0.749  -1.088  -2.563  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1       -1.280   0.200  -2.443  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1       -0.457   1.212  -1.939  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        3.037   1.537  -0.778  0.00  0.00    -0.307 N 
ATOM      8  H   LIG    1        3.191   0.531  -0.839  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        1.751   1.958  -1.039  0.00  0.00    +0.263 C 
ATOM     10  O   LIG    1        1.342   3.095  -0.831  0.00  0.00    -0.269 OA
BRANCH   7  15
ATOM     11  C   LIG    1        5.699  -0.946   2.054  0.00  0.00    +0.104 C 
ATOM     12  N   LIG    1        5.083   0.099   1.241  0.00  0.00    -0.305 NA
ATOM     13  C   LIG    1        4.042   0.812   2.000  0.00  0.00    +0.086 C 
ATOM     14  C   LIG    1        3.747   2.223   1.473  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1        3.998   2.336  -0.030  0.00  0.00    +0.076 C 
ATOM     16  C   LIG    1        5.437   1.919  -0.373  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1        6.076   1.017   0.690  0.00  0.00    +0.086 C 
ENDBRANCH   7  15
ENDBRANCH   1   9
BRANCH   5  18
ATOM     18  C   LIG    1       -2.717   0.491  -2.803  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.564   0.453  -1.615  0.00  0.00    -0.339 N 
ATOM     20  H   LIG    1       -3.172   1.051  -0.895  0.00  0.00    +0.146 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -4.041  -0.757  -1.071  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1       -4.462  -0.820   0.300  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -4.961  -2.038   0.834  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -5.334  -2.075   2.203  0.00  0.00    +0.124 A 
ATOM     25  N   LIG    1       -5.257  -1.012   3.019  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1       -4.810   0.139   2.495  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1       -5.077  -3.157  -0.018  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -4.739  -3.077  -1.362  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -4.412   0.282   1.178  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1       -4.245  -1.885  -1.882  0.00  0.00    +0.023 A 
BRANCH  24  31
ATOM     31  N   LIG    1       -5.828  -3.248   2.797  0.00  0.00    -0.343 N 
ATOM     32  H   LIG    1       -5.136  -3.984   2.710  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1       -6.676  -3.532   2.317  0.00  0.00    +0.144 HD
ENDBRANCH  24  31
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 6