REMARK  Name = BDB002671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.556  -0.468   0.776  0.00  0.00    +0.100 C 
ATOM      2  C   LIG    1        0.557  -1.037   0.275  0.00  0.00    +0.074 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        1.857  -0.460   0.194  0.00  0.00    +0.131 A 
ATOM      4  O   LIG    1        2.723  -0.832  -0.815  0.00  0.00    -0.455 OA
ATOM      5  C   LIG    1        3.898  -0.154  -0.680  0.00  0.00    +0.136 A 
ATOM      6  C   LIG    1        3.825   0.653   0.432  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        2.539   0.450   0.991  0.00  0.00    +0.050 A 
BRANCH   5   8
ATOM      8  C   LIG    1        4.923  -0.424  -1.687  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        6.165   0.226  -1.630  0.00  0.00    +0.044 A 
ATOM     10  C   LIG    1        7.145  -0.038  -2.600  0.00  0.00    +0.127 A 
ATOM     11  C   LIG    1        6.903  -0.947  -3.636  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1        5.672  -1.595  -3.698  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        4.694  -1.335  -2.732  0.00  0.00    +0.012 A 
BRANCH  10  14
ATOM     14  N   LIG    1        8.440   0.650  -2.528  0.00  0.00    +0.056 N 
ATOM     15  O   LIG    1        9.280   0.391  -3.401  0.00  0.00    -0.126 OA
ATOM     16  O   LIG    1        8.617   1.451  -1.599  0.00  0.00    -0.126 OA
ENDBRANCH  10  14
ENDBRANCH   5   8
ENDBRANCH   2   3
BRANCH   1  18
ATOM     17  C   LIG    1       -2.993  -0.706   1.125  0.00  0.00    +0.248 C 
ATOM     18  N   LIG    1       -1.752  -1.172   0.733  0.00  0.00    -0.277 N 
ATOM     19  H   LIG    1       -1.687  -2.144   0.462  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1       -3.249   0.427   1.509  0.00  0.00    -0.270 OA
BRANCH  17  25
ATOM     21  C   LIG    1       -7.368  -4.506   0.958  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -6.215  -3.546   1.005  0.00  0.00    -0.050 A 
ATOM     23  C   LIG    1       -5.234  -3.566   0.005  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -4.178  -2.651   0.028  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1       -4.097  -1.703   1.056  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1       -5.093  -1.657   2.037  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -6.146  -2.574   2.011  0.00  0.00    +0.004 A 
ENDBRANCH  17  25
ENDBRANCH   1  18
BRANCH   1  28
ATOM     28  C   LIG    1       -0.515   0.918   1.352  0.00  0.00    +0.259 C 
ATOM     29  N   LIG    1       -0.816   1.891   0.425  0.00  0.00    -0.306 N 
ATOM     30  H   LIG    1       -1.281   1.563  -0.411  0.00  0.00    +0.150 HD
ATOM     31  O   LIG    1       -0.199   1.103   2.521  0.00  0.00    -0.269 OA
BRANCH  29  32
ATOM     32  C   LIG    1       -0.926   3.322   0.733  0.00  0.00    +0.027 C 
ATOM     33  C   LIG    1       -2.067   3.588   1.725  0.00  0.00    +0.031 C 
ATOM     34  C   LIG    1        0.397   3.871   1.292  0.00  0.00    +0.031 C 
ATOM     35  C   LIG    1       -1.233   4.066  -0.580  0.00  0.00    +0.031 C 
ENDBRANCH  29  32
ENDBRANCH   1  28
TORSDOF 7