REMARK  Name = BDB027581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.081  -0.133   1.081  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.608  -0.623  -0.011  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -2.064  -0.670  -0.002  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.474  -0.790  -1.479  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.256  -1.479  -2.102  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.089  -0.859  -1.350  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.462   0.235   2.117  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        6.511   1.507   0.786  0.00  0.00    +0.243 C 
ATOM      9  N   LIG    1        5.795   0.310   0.700  0.00  0.00    -0.261 N 
ATOM     10  C   LIG    1        4.362   0.226   0.850  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        3.729  -1.038   0.804  0.00  0.00    +0.143 A 
ATOM     12  C   LIG    1        2.339  -1.166   0.864  0.00  0.00    +0.060 A 
ATOM     13  C   LIG    1        1.550  -0.025   0.986  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        2.145   1.231   1.074  0.00  0.00    +0.015 A 
ATOM     15  O   LIG    1        4.402  -2.232   0.678  0.00  0.00    -0.489 OA
ATOM     16  C   LIG    1        5.750  -2.120   1.129  0.00  0.00    +0.248 C 
ATOM     17  C   LIG    1        3.539   1.353   0.992  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        6.454  -0.975   0.425  0.00  0.00    +0.155 C 
ATOM     19  O   LIG    1        6.108   2.555   1.284  0.00  0.00    -0.270 OA
BRANCH   8  21
ATOM     20  C   LIG    1        8.822   2.349   0.625  0.00  0.00    +0.014 C 
ATOM     21  C   LIG    1        7.890   1.483   0.206  0.00  0.00    +0.060 C 
ENDBRANCH   8  21
ENDBRANCH   1  13
BRANCH   4  22
ATOM     22  N   LIG    1       -3.668  -1.590  -1.705  0.00  0.00    -0.309 N 
ATOM     23  H   LIG    1       -3.639  -2.544  -1.359  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.842  -1.046  -1.203  0.00  0.00    +0.216 A 
ATOM     25  N   LIG    1       -5.012   0.282  -1.167  0.00  0.00    -0.215 NA
ATOM     26  C   LIG    1       -6.159   0.757  -0.662  0.00  0.00    +0.076 A 
ATOM     27  C   LIG    1       -7.162  -0.081  -0.174  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -8.360   0.442   0.355  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1       -8.555   1.819   0.396  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -7.562   2.666  -0.086  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -6.879  -1.433  -0.253  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -6.379   2.129  -0.608  0.00  0.00    +0.028 A 
ATOM     33  N   LIG    1       -5.735  -1.934  -0.755  0.00  0.00    -0.222 NA
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 4