REMARK  Name = BDB063907
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.463  -0.620  -0.230  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        0.194  -1.774   0.419  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.700  -2.190   0.596  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.362  -2.353   0.794  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.532  -3.395   1.394  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.373  -1.388   0.286  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.686  -1.576   0.470  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.729  -0.342  -0.339  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.771  -0.685   0.028  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.915  -0.584   0.837  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.976   0.237   0.416  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.932   0.943  -0.788  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        8.052   1.709  -1.071  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.924   1.583  -0.097  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.788   0.820  -1.599  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        8.478   0.559   1.200  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.725   0.005  -1.186  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.496   0.195  -0.739  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -0.090   1.058  -1.093  0.00  0.00    +0.149 HD
BRANCH  18  23
ATOM     20  C   LIG    1       -4.920   0.324  -0.374  0.00  0.00    +0.118 C 
ATOM     21  C   LIG    1       -4.137  -0.694  -1.212  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1       -2.675  -0.940  -0.843  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -1.905   0.303  -0.386  0.00  0.00    +0.073 C 
ATOM     24  C   LIG    1       -2.057   0.574   1.117  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1       -3.427   1.098   1.542  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -4.623   0.241   1.128  0.00  0.00    +0.031 C 
BRANCH  20  28
ATOM     27  C   LIG    1       -7.142   1.185  -0.514  0.00  0.00    +0.194 C 
ATOM     28  O   LIG    1       -6.306   0.038  -0.609  0.00  0.00    -0.380 OA
ENDBRANCH  20  28
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 4