REMARK  Name = BDB024562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.442  -0.883  -0.274  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.583   0.068   0.309  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.206   1.382   0.554  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.428   2.138  -0.767  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.441   2.235   1.562  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.002   2.393   1.123  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.383   1.039   0.924  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.991   0.877   1.112  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.052   1.818   1.453  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.099   1.179   1.546  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.942  -0.150   1.204  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1        0.403  -0.372   0.989  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.154  -1.515   0.725  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.532  -1.343   0.524  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.166  -0.089   0.560  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.666  -0.757  -0.296  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        5.699  -2.847  -1.537  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        4.820  -1.926  -0.890  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.974  -1.171   1.149  0.00  0.00    +0.128 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.192  -1.803  -0.239  0.00  0.00    +0.023 C 
ATOM     21  C   LIG    1       -2.698  -0.789  -1.278  0.00  0.00    +0.086 C 
ATOM     22  N   LIG    1       -2.928  -1.419  -2.583  0.00  0.00    -0.316 NA
ATOM     23  H   LIG    1       -2.046  -1.793  -2.934  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -3.912  -2.496  -2.489  0.00  0.00    +0.081 C 
ATOM     25  C   LIG    1       -3.475  -3.573  -1.500  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -3.182  -2.975  -0.126  0.00  0.00    +0.008 C 
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  27
ATOM     27  C   LIG    1       -2.378   1.813   2.009  0.00  0.00    +0.109 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.370   2.107   0.906  0.00  0.00    -0.040 A 
ATOM     29  C   LIG    1       -2.978   2.797  -0.251  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -3.903   3.078  -1.257  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.232   2.689  -1.112  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.641   2.025   0.043  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.717   1.740   1.050  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 5