REMARK  Name = BDB056730
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.473  -0.874   0.066  0.00  0.00    +0.222 A 
ATOM      2  N   LIG    1       -1.367  -0.520   0.764  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -0.258  -0.516  -0.001  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1       -0.154  -0.831  -1.349  0.00  0.00    +0.109 A 
ATOM      5  N   LIG    1        1.141  -0.708  -1.782  0.00  0.00    -0.227 NA
ATOM      6  C   LIG    1        1.839  -0.342  -0.718  0.00  0.00    +0.149 A 
ATOM      7  C   LIG    1       -1.318  -1.207  -2.026  0.00  0.00    +0.037 A 
ATOM      8  N   LIG    1        1.018  -0.204   0.383  0.00  0.00    -0.313 N 
ATOM      9  C   LIG    1        1.409   0.184   1.716  0.00  0.00    +0.152 C 
ATOM     10  C   LIG    1       -2.502  -1.235  -1.284  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -3.633  -0.942   0.817  0.00  0.00    -0.438 OA
BRANCH  11  17
ATOM     12  C   LIG    1       -8.008   2.283  -0.835  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -6.849   1.447  -0.377  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1       -7.031   0.087  -0.086  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -5.953  -0.715   0.319  0.00  0.00    -0.008 A 
ATOM     16  C   LIG    1       -6.169  -2.166   0.641  0.00  0.00    +0.047 C 
ATOM     17  C   LIG    1       -4.675  -0.141   0.399  0.00  0.00    +0.133 A 
ATOM     18  C   LIG    1       -4.487   1.216   0.119  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1       -5.569   2.003  -0.280  0.00  0.00    +0.007 A 
ENDBRANCH  11  17
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1        3.312  -0.083  -0.694  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.874  -0.934   0.304  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1        5.226  -0.863   0.499  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        6.103   0.010  -0.146  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1        7.473  -0.021   0.160  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        7.960  -0.930   1.107  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        7.083  -1.800   1.751  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.723  -1.763   1.446  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1        8.441   0.892  -0.496  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1        9.644   0.908  -0.314  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        7.852   1.753  -1.345  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        8.601   2.281  -1.694  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 7