REMARK  Name = BDB003006
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.526  -0.671  -0.241  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1        0.018   0.282  -1.039  0.00  0.00    -0.198 NA
ATOM      3  C   LIG    1       -1.306   0.476  -1.034  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -2.137  -0.263  -0.285  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1       -1.629  -1.214   0.514  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -0.271  -1.448   0.565  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -1.829   1.447  -1.870  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -0.886   2.460  -2.361  0.00  0.00    +0.136 C 
ATOM      9  C   LIG    1       -1.636   3.491  -3.220  0.00  0.00    +0.179 C 
ATOM     10  O   LIG    1       -2.688   4.177  -2.520  0.00  0.00    -0.377 OA
ATOM     11  C   LIG    1       -3.230   3.424  -1.425  0.00  0.00    +0.179 C 
ATOM     12  C   LIG    1       -3.207   1.903  -1.653  0.00  0.00    +0.136 C 
ENDBRANCH   3   7
BRANCH   5  13
ATOM     13  N   LIG    1       -2.486  -1.988   1.327  0.00  0.00    -0.311 N 
ATOM     14  C   LIG    1       -2.501  -3.409   0.893  0.00  0.00    +0.134 C 
ATOM     15  C   LIG    1       -3.797  -4.099   1.345  0.00  0.00    +0.178 C 
ATOM     16  O   LIG    1       -4.978  -3.504   0.782  0.00  0.00    -0.377 OA
ATOM     17  C   LIG    1       -4.845  -2.090   0.551  0.00  0.00    +0.178 C 
ATOM     18  C   LIG    1       -3.844  -1.418   1.501  0.00  0.00    +0.134 C 
ENDBRANCH   5  13
BRANCH   1  19
ATOM     19  N   LIG    1        1.938  -0.870  -0.205  0.00  0.00    -0.248 N 
ATOM     20  H   LIG    1        2.125  -1.855  -0.398  0.00  0.00    +0.172 HD
BRANCH  19  23
ATOM     21  O   LIG    1        3.509   2.057  -1.185  0.00  0.00    -0.269 OA
ATOM     22  C   LIG    1        3.450   0.947  -0.661  0.00  0.00    +0.260 C 
ATOM     23  N   LIG    1        2.600  -0.030  -1.154  0.00  0.00    -0.231 N 
ATOM     24  H   LIG    1        1.938   0.374  -1.824  0.00  0.00    +0.173 HD
BRANCH  22  25
ATOM     25  C   LIG    1        4.323   0.635   0.502  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        4.876  -0.639   0.689  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        5.714  -0.887   1.780  0.00  0.00    +0.033 A 
ATOM     28  C   LIG    1        6.008   0.150   2.678  0.00  0.00    +0.126 A 
ATOM     29  C   LIG    1        5.475   1.432   2.487  0.00  0.00    +0.033 A 
ATOM     30  C   LIG    1        4.639   1.671   1.393  0.00  0.00    +0.015 A 
BRANCH  28  31
ATOM     31  N   LIG    1        6.889  -0.109   3.825  0.00  0.00    +0.056 N 
ATOM     32  O   LIG    1        7.134   0.834   4.590  0.00  0.00    -0.126 OA
ATOM     33  O   LIG    1        7.333  -1.259   3.960  0.00  0.00    -0.126 OA
ENDBRANCH  28  31
ENDBRANCH  22  25
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 6