REMARK  Name = BDB024732
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.244  -0.724   0.307  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.487   0.036  -0.602  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.235   0.994  -1.443  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.076   0.270  -2.508  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.368   2.043  -2.158  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.227   2.488  -1.270  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.400   1.272  -0.964  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.989   1.306  -0.966  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.161   2.370  -1.223  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.071   1.916  -1.087  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.059   0.568  -0.788  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.255   0.160  -0.676  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.882  -1.051  -0.367  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.284  -1.073  -0.355  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.052   0.066  -0.628  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.473  -0.741   0.318  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.284  -0.245  -0.601  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -2.311  -1.613  -1.334  0.00  0.00    +0.034 C 
ATOM     19  C   LIG    1       -2.797  -2.202  -0.026  0.00  0.00    -0.000 C 
ATOM     20  C   LIG    1       -2.354  -3.580   0.382  0.00  0.00    +0.092 C 
ATOM     21  N   LIG    1       -3.696  -4.064  -0.050  0.00  0.00    -0.304 NA
ATOM     22  C   LIG    1       -4.284  -4.924   0.972  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1       -4.228  -2.676   0.065  0.00  0.00    +0.092 C 
ATOM     24  C   LIG    1       -2.368  -0.990   0.759  0.00  0.00    +0.034 C 
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1        5.277  -2.120   2.197  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        4.507  -1.396   1.238  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1       -2.303   2.758  -1.227  0.00  0.00    +0.109 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.019   3.021   0.082  0.00  0.00    -0.040 A 
ATOM     29  C   LIG    1       -4.404   2.820   0.185  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -5.070   3.072   1.386  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.363   3.536   2.493  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -2.991   3.755   2.400  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.323   3.505   1.200  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 4