REMARK  Name = BDB021442
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.666   0.095  -1.753  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -2.980  -1.109  -1.545  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.607  -1.152  -1.231  0.00  0.00    +0.133 A 
ATOM      4  O   LIG    1       -1.180  -2.441  -1.082  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        0.188  -2.696  -0.792  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1        0.643  -1.934   0.441  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1        1.210  -0.650   0.058  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.551   0.225  -0.799  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        1.138   1.190  -1.294  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -0.897   0.049  -1.116  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1       -1.588   1.260  -1.341  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -2.949   1.286  -1.653  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -5.142   0.100  -2.087  0.00  0.00    +0.119 C 
BRANCH  13  17
ATOM     14  C   LIG    1       -7.017   2.775   1.664  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -7.147   1.503   0.827  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1       -5.989   1.397  -0.181  0.00  0.00    +0.088 C 
ATOM     17  N   LIG    1       -6.080   0.155  -0.956  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1       -6.026  -1.027  -0.092  0.00  0.00    +0.088 C 
ATOM     19  C   LIG    1       -7.183  -1.041   0.922  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -8.531  -1.297   0.240  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1       -7.195   0.264   1.732  0.00  0.00    +0.009 C 
ENDBRANCH  13  17
ENDBRANCH   1  13
BRANCH   7  22
ATOM     22  C   LIG    1        2.654  -0.457   0.260  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.492  -1.098  -0.859  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  O   LIG    1        3.507  -2.530  -0.683  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1        4.290  -2.692  -0.116  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1        4.956  -0.600  -0.899  0.00  0.00    +0.117 C 
BRANCH  26  27
ATOM     27  N   LIG    1        5.752  -1.169   0.218  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1        5.903  -0.215   1.340  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1        6.899   0.902   1.113  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1        7.923   0.777   0.157  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1        8.851   1.814  -0.010  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        8.777   2.959   0.782  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        7.776   3.079   1.742  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        7.987  -0.440  -0.730  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1        6.843   2.055   1.910  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1        7.100  -1.586  -0.222  0.00  0.00    +0.089 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 7