REMARK  Name = BDB061977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.479   0.373  -0.462  0.00  0.00    +0.228 A 
ATOM      2  O   LIG    1        3.166   0.956  -1.666  0.00  0.00    -0.435 OA
ATOM      3  C   LIG    1        1.807   1.054  -1.640  0.00  0.00    +0.156 A 
ATOM      4  C   LIG    1        1.363   0.534  -0.438  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1       -0.014   0.520  -0.166  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1       -0.894   1.038  -1.129  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -0.389   1.555  -2.338  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        0.983   1.577  -2.626  0.00  0.00    +0.050 A 
ATOM      9  N   LIG    1        2.435   0.104   0.303  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        7.624  -0.348   0.374  0.00  0.00    -0.048 A 
ATOM     11  C   LIG    1        6.632  -0.700   1.296  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        5.284  -0.459   1.013  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        4.897   0.135  -0.197  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1        5.895   0.479  -1.119  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        7.244   0.239  -0.838  0.00  0.00    +0.004 A 
BRANCH  10  17
ATOM     16  C   LIG    1        9.501  -2.001   0.185  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        9.076  -0.624   0.670  0.00  0.00    +0.032 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  N   LIG    1       -2.297   1.075  -0.965  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1       -2.818   1.480  -1.734  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -3.027   0.666   0.134  0.00  0.00    +0.250 C 
ATOM     21  O   LIG    1       -2.588   0.170   1.164  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -4.504   0.802   0.015  0.00  0.00    +0.056 A 
ATOM     23  C   LIG    1       -5.154   1.935  -0.495  0.00  0.00    +0.053 A 
ATOM     24 CL   LIG    1       -4.317   3.341  -1.049  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -6.553   1.968  -0.555  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1       -7.310   0.886  -0.099  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1       -6.668  -0.238   0.431  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1       -5.270  -0.281   0.480  0.00  0.00    +0.027 A 
BRANCH  27  29
ATOM     29  C   LIG    1       -7.434  -1.418   0.912  0.00  0.00    +0.244 C 
ATOM     30  N   LIG    1       -8.661  -1.153   1.484  0.00  0.00    -0.314 N 
ATOM     31  H   LIG    1       -8.867  -0.206   1.773  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1       -9.422  -2.216   2.094  0.00  0.00    +0.128 C 
ATOM     33  O   LIG    1       -6.955  -2.540   0.807  0.00  0.00    -0.270 OA
ENDBRANCH  27  29
ENDBRANCH  20  22
ENDBRANCH   6  18
TORSDOF 5