REMARK  Name = BDB008587
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.060  -0.734   0.027  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1        2.940  -1.139   1.059  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        2.492  -2.083   2.011  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        3.355  -2.498   3.041  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        4.651  -1.993   3.140  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        5.104  -1.065   2.210  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.188  -2.599   1.924  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        0.304  -2.194   0.914  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1        4.258  -0.645   1.182  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        0.766  -1.264  -0.035  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -1.121  -2.728   0.785  0.00  0.00    +0.104 C 
ATOM     12  C   LIG    1       -1.488  -3.914   1.692  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -2.131  -1.640   0.875  0.00  0.00    -0.289 N 
ATOM     14  C   LIG    1       -2.785  -1.265  -0.310  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1       -2.422  -1.689  -1.414  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -3.967  -0.274  -0.212  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1       -5.097  -0.764  -0.955  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1       -5.527   0.118  -1.994  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -4.349   0.603  -2.844  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1       -3.343   1.366  -2.082  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -2.425   1.030  -2.382  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -3.485   1.134  -0.633  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1       -2.570  -1.211   2.186  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -1.641  -0.857   3.320  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -2.415   0.222   2.639  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  26
ATOM     26  O   LIG    1        2.558   0.183  -0.868  0.00  0.00    -0.490 OA
BRANCH  26  27
ATOM     27  C   LIG    1        1.716   0.587  -1.953  0.00  0.00    +0.248 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.489   1.590  -2.807  0.00  0.00    +0.148 C 
BRANCH  28  30
ATOM     29  C   LIG    1        3.155   3.952  -2.701  0.00  0.00    +0.400 C 
ATOM     30  N   LIG    1        2.786   2.803  -2.072  0.00  0.00    -0.278 N 
ATOM     31  H   LIG    1        3.082   2.728  -1.108  0.00  0.00    +0.152 HD
ATOM     32  O   LIG    1        3.103   4.149  -3.905  0.00  0.00    -0.226 OA
BRANCH  29  34
ATOM     33  C   LIG    1        4.022   6.085  -2.329  0.00  0.00    +0.282 C 
ATOM     34  O   LIG    1        3.605   4.836  -1.777  0.00  0.00    -0.454 OA
ENDBRANCH  29  34
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 9