REMARK  Name = BDB020582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.566   1.357   0.895  0.00  0.00    +0.245 C 
ATOM      2  N   LIG    1        1.030   1.503  -0.387  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1        0.610   0.957  -1.131  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.091   1.842   1.889  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  C   LIG    1       -2.948  -0.080   0.414  0.00  0.00    +0.056 A 
ATOM      6  N   LIG    1       -2.712  -1.304   1.101  0.00  0.00    -0.317 N 
ATOM      7  C   LIG    1       -1.506  -1.608   1.735  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -1.605  -2.842   2.339  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -2.898  -3.335   2.074  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -0.449  -0.667   1.648  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -0.642   0.487   0.984  0.00  0.00    +0.043 A 
ATOM     12  C   LIG    1       -3.549  -2.386   1.317  0.00  0.00    +0.091 A 
ATOM     13  C   LIG    1       -1.936   0.836   0.373  0.00  0.00    -0.016 A 
ATOM     14  C   LIG    1       -2.049   2.226  -0.201  0.00  0.00    +0.046 C 
BRANCH   5  15
ATOM     15  C   LIG    1       -4.309   0.170  -0.229  0.00  0.00    +0.162 C 
ATOM     16  C   LIG    1       -5.383   0.483   0.815  0.00  0.00    +0.044 C 
BRANCH  15  18
ATOM     17  C   LIG    1       -5.589  -0.646  -2.076  0.00  0.00    +0.194 C 
ATOM     18  O   LIG    1       -4.671  -0.956  -1.036  0.00  0.00    -0.374 OA
ENDBRANCH  15  18
ENDBRANCH   5  15
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  C   LIG    1        2.277   2.168  -0.689  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.362   1.140  -0.827  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        3.332   0.375  -2.118  0.00  0.00    +0.254 A 
ATOM     22  O   LIG    1        2.456   0.555  -2.960  0.00  0.00    -0.268 OA
ATOM     23  N   LIG    1        4.327  -0.548  -2.311  0.00  0.00    -0.326 N 
ATOM     24  H   LIG    1        4.284  -1.056  -3.186  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        5.319  -0.823  -1.403  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1        6.314  -1.877  -1.775  0.00  0.00    +0.063 C 
ATOM     27  C   LIG    1        5.345  -0.148  -0.244  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1        4.347   0.869   0.060  0.00  0.00    -0.039 A 
ATOM     29  C   LIG    1        4.524   1.530   1.399  0.00  0.00    +0.044 C 
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 5