REMARK  Name = BDB062344
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.688  -0.075  -0.472  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.517   0.008   0.125  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.474  -0.730  -0.442  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.813  -0.841  -0.040  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -3.480  -1.724  -0.916  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -2.517  -2.147  -1.857  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -2.738  -3.053  -2.946  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.651  -2.062  -0.879  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.308  -1.530  -1.548  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1       -0.069  -1.563  -2.096  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        0.940  -0.838  -1.565  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.375  -0.138   1.099  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -4.487   0.832   0.689  0.00  0.00    +0.053 C 
ATOM     14  C   LIG    1       -5.060   1.515   1.922  0.00  0.00    +0.162 C 
ATOM     15  O   LIG    1       -5.527   0.553   2.866  0.00  0.00    -0.380 OA
ATOM     16  C   LIG    1       -4.492  -0.311   3.329  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -3.885  -1.099   2.177  0.00  0.00    +0.053 C 
ENDBRANCH   4  12
BRANCH   1  18
ATOM     18  N   LIG    1        1.677   0.705   0.122  0.00  0.00    -0.283 N 
ATOM     19  H   LIG    1        1.268   1.180   0.913  0.00  0.00    +0.155 HD
BRANCH  18  22
ATOM     20  C   LIG    1        3.091   2.664   1.743  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1        3.758   1.848   0.666  0.00  0.00    -0.027 A 
ATOM     22  C   LIG    1        3.048   0.898  -0.100  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        3.760   0.202  -1.086  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        5.135   0.417  -1.310  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        5.833   1.354  -0.539  0.00  0.00    +0.094 A 
ATOM     26  N   LIG    1        7.145   1.572  -0.738  0.00  0.00    -0.149 NA
ATOM     27  N   LIG    1        7.833   0.883  -1.700  0.00  0.00    -0.157 NA
ATOM     28  C   LIG    1        7.185  -0.021  -2.453  0.00  0.00    +0.135 A 
ATOM     29  C   LIG    1        5.841  -0.284  -2.292  0.00  0.00    +0.031 A 
ATOM     30  C   LIG    1        5.134   2.053   0.434  0.00  0.00    +0.035 A 
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 3