REMARK  Name = BDB024696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.284  -1.829   0.615  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.713  -1.268  -0.542  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.583  -0.856  -1.672  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.191  -2.078  -2.385  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.892  -0.000  -2.746  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.935   0.983  -2.114  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.908   0.189  -1.363  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.542   0.542  -1.376  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.916   1.565  -2.043  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.366   1.478  -1.741  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.585   0.426  -0.876  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        0.624  -0.195  -0.642  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.994  -1.300   0.125  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.353  -1.640   0.137  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.318  -0.917  -0.582  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.684  -2.172   1.628  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        7.280  -2.460   1.690  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        6.646  -1.924   0.528  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.856  -0.004  -0.314  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.036   0.451   1.146  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.230  -0.034   1.850  0.00  0.00    -0.300 NA
ATOM     22  C   LIG    1       -3.227  -1.474   2.148  0.00  0.00    +0.096 C 
ATOM     23  C   LIG    1       -4.635  -1.951   1.843  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1       -4.872  -3.453   1.630  0.00  0.00    +0.170 C 
ATOM     25  O   LIG    1       -5.974  -3.446   2.572  0.00  0.00    -0.378 OA
ATOM     26  C   LIG    1       -5.569  -2.138   3.055  0.00  0.00    +0.170 C 
ATOM     27  C   LIG    1       -5.131  -0.997   0.772  0.00  0.00    +0.028 C 
ATOM     28  C   LIG    1       -4.510   0.319   1.224  0.00  0.00    +0.085 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  29
ATOM     29  C   LIG    1       -1.427   2.391  -2.280  0.00  0.00    +0.109 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.020   3.332  -1.255  0.00  0.00    -0.040 A 
ATOM     31  C   LIG    1       -1.195   4.105  -0.423  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -1.750   4.978   0.514  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.134   5.100   0.620  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -3.964   4.356  -0.215  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -3.411   3.482  -1.153  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6