REMARK  Name = BDB001044
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.585  -1.486  -1.960  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        1.949  -1.178  -1.992  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        2.900  -2.138  -1.616  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        2.463  -3.434  -1.301  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.103  -3.753  -1.319  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.161  -2.778  -1.644  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -1.243  -0.737  -3.180  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.428  -0.463  -2.301  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1       -0.427   0.756  -1.601  0.00  0.00    -0.296 N 
ATOM     10  C   LIG    1       -1.495   1.694  -1.953  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1       -2.766   1.484  -1.112  0.00  0.00    +0.128 C 
ATOM     12  N   LIG    1       -2.539   1.546   0.344  0.00  0.00    -0.284 N 
ATOM     13  C   LIG    1       -2.849   0.489   1.188  0.00  0.00    +0.305 C 
ATOM     14  N   LIG    1       -3.986  -0.242   0.899  0.00  0.00    -0.281 N 
ATOM     15  C   LIG    1       -4.206  -1.473   1.659  0.00  0.00    +0.137 C 
ATOM     16  C   LIG    1       -5.415  -2.241   1.125  0.00  0.00    +0.179 C 
ATOM     17  O   LIG    1       -6.638  -1.489   1.175  0.00  0.00    -0.377 OA
ATOM     18  C   LIG    1       -6.444  -0.067   1.151  0.00  0.00    +0.179 C 
ATOM     19  C   LIG    1       -5.208   0.361   0.350  0.00  0.00    +0.137 C 
ATOM     20  O   LIG    1       -2.144   0.216   2.161  0.00  0.00    -0.252 OA
ATOM     21  C   LIG    1       -1.550   2.508   0.813  0.00  0.00    +0.111 C 
ATOM     22  C   LIG    1       -0.086   2.158   0.508  0.00  0.00    +0.038 C 
ATOM     23  C   LIG    1        0.164   0.857  -0.255  0.00  0.00    +0.109 C 
ENDBRANCH   1   8
BRANCH   3  24
ATOM     24  C   LIG    1        4.376  -1.805  -1.577  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.673  -0.416  -1.021  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1        4.456  -0.126   0.421  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1        4.672   1.183   0.845  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1        4.461   1.546   2.181  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1        4.031   0.590   3.098  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        3.819  -0.724   2.682  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        5.128   2.188  -0.129  0.00  0.00    +0.272 A 
ATOM     32  O   LIG    1        5.321   3.354   0.199  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1        5.321   1.742  -1.412  0.00  0.00    -0.242 N 
ATOM     34  H   LIG    1        5.633   2.422  -2.099  0.00  0.00    +0.192 HD
ATOM     35  C   LIG    1        4.033  -1.085   1.348  0.00  0.00    +0.010 A 
ATOM     36  N   LIG    1        5.086   0.483  -1.867  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 3