REMARK  Name = BDB022920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.780  -1.100  -2.563  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -1.154  -0.239  -1.348  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -1.145  -1.036  -0.111  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -2.181  -1.817   0.388  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -1.916  -2.694   1.227  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.191  -1.405   0.402  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.316  -0.443   0.102  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        1.110   0.667  -0.690  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        2.210   1.469  -0.885  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        3.425   1.202  -0.377  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.541   0.101   0.372  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        2.529  -0.739   0.623  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -0.238   0.998  -1.237  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -3.674  -1.639   0.058  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1       -4.530  -1.047   1.214  0.00  0.00    +0.018 C 
ATOM     16  C   LIG    1       -6.009  -1.013   0.738  0.00  0.00    +0.088 C 
ATOM     17  N   LIG    1       -6.261  -0.234  -0.484  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -6.912   1.044  -0.212  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -5.087  -0.059  -1.342  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -4.205  -1.303  -1.343  0.00  0.00    +0.028 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.184   0.279   1.868  0.00  0.00    -0.006 C 
ATOM     22  C   LIG    1       -3.215   1.310   1.361  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -2.868   0.495   2.575  0.00  0.00    +0.004 C 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  24
ATOM     24  N   LIG    1        4.755  -0.251   0.947  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1        4.637  -1.226   1.204  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1        5.948   0.055   0.160  0.00  0.00    +0.077 C 
ATOM     27  C   LIG    1        7.068  -0.903   0.573  0.00  0.00    +0.050 C 
ATOM     28  C   LIG    1        8.349  -0.604  -0.199  0.00  0.00    +0.161 C 
ATOM     29  O   LIG    1        8.466   0.761  -0.598  0.00  0.00    -0.380 OA
ATOM     30  C   LIG    1        7.908   1.658   0.356  0.00  0.00    +0.161 C 
ATOM     31  C   LIG    1        6.393   1.508   0.387  0.00  0.00    +0.050 C 
ENDBRANCH  24  26
ENDBRANCH  11  24
TORSDOF 4