REMARK  Name = BDB021458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.818  -0.138  -0.613  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -3.111  -0.985  -1.475  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.710  -1.128  -1.406  0.00  0.00    +0.133 A 
ATOM      4  O   LIG    1       -1.268  -2.021  -2.338  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        0.087  -2.436  -2.288  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1        1.019  -1.261  -2.518  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1        1.394  -0.644  -1.256  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.489  -0.365  -0.239  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.906  -0.063   0.884  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -0.989  -0.388  -0.462  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1       -1.711   0.460   0.408  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -3.100   0.586   0.336  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -5.322  -0.006  -0.714  0.00  0.00    +0.120 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -7.463  -0.115   0.468  0.00  0.00    +0.083 C 
ATOM     15  N   LIG    1       -6.012  -0.382   0.527  0.00  0.00    -0.293 NA
ATOM     16  C   LIG    1       -5.903  -1.820   0.804  0.00  0.00    +0.085 C 
ATOM     17  C   LIG    1       -6.950  -2.029   1.880  0.00  0.00    +0.017 C 
ATOM     18  C   LIG    1       -8.062  -1.052   1.528  0.00  0.00    +0.022 C 
BRANCH  14  19
ATOM     19  C   LIG    1       -7.837   1.352   0.732  0.00  0.00    +0.178 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -9.660   2.838   0.906  0.00  0.00    +0.194 C 
ATOM     21  O   LIG    1       -9.257   1.503   0.629  0.00  0.00    -0.381 OA
ENDBRANCH  19  21
ENDBRANCH  14  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   7  22
ATOM     22  C   LIG    1        2.829  -0.408  -1.014  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.500  -1.584  -0.273  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  O   LIG    1        3.132  -1.644   1.111  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1        2.330  -1.089   1.227  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1        5.043  -1.559  -0.402  0.00  0.00    +0.117 C 
BRANCH  26  27
ATOM     27  N   LIG    1        5.696  -0.242  -0.231  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1        7.123  -0.350  -0.604  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1        7.924   0.906  -0.336  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1        7.479   1.857   0.598  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1        8.253   2.996   0.856  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        9.476   3.178   0.211  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        9.930   2.227  -0.700  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        6.141   1.681   1.267  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1        9.160   1.095  -0.971  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1        5.599   0.248   1.157  0.00  0.00    +0.089 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 9