REMARK  Name = BDB023719
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.079  -0.145  -1.266  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -1.171   0.893  -1.286  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -0.612   1.619  -0.142  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1       -0.074   2.923  -0.742  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1        0.265   2.548  -2.183  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.816   1.531  -2.544  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1       -2.542  -0.590  -2.321  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.520   0.831   0.516  0.00  0.00    +0.158 C 
ATOM      9  N   LIG    1        1.412   0.072  -0.191  0.00  0.00    -0.286 N 
ATOM     10  H   LIG    1        1.762   0.525  -1.036  0.00  0.00    +0.151 HD
ATOM     11  C   LIG    1        2.406  -0.368   0.763  0.00  0.00    +0.230 C 
ATOM     12  C   LIG    1        3.784   0.225   0.493  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        4.944  -0.579   0.532  0.00  0.00    -0.039 A 
ATOM     14  C   LIG    1        6.200  -0.007   0.266  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        6.321   1.355   0.001  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        5.190   2.163   0.001  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.877  -2.058   0.823  0.00  0.00    +0.036 C 
ATOM     18  C   LIG    1        3.593  -2.456   1.542  0.00  0.00    +0.011 C 
ATOM     19  C   LIG    1        3.936   1.604   0.250  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        2.388  -1.905   0.793  0.00  0.00    +0.077 C 
ATOM     21  O   LIG    1        1.919   0.112   2.040  0.00  0.00    -0.361 OA
ATOM     22  N   LIG    1        0.723   0.873   1.804  0.00  0.00    -0.069 NA
ENDBRANCH   3   8
BRANCH   5  23
ATOM     23  O   LIG    1        1.563   1.949  -2.231  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1        1.782   1.824  -3.174  0.00  0.00    +0.210 HD
ENDBRANCH   5  23
BRANCH   1  25
ATOM     25  C   LIG    1       -2.538  -0.692   0.098  0.00  0.00    +0.146 C 
BRANCH  25  30
ATOM     26  C   LIG    1       -7.072   1.635   0.614  0.00  0.00    +0.069 C 
ATOM     27  C   LIG    1       -5.697   1.106   0.738  0.00  0.00    +0.081 A 
ATOM     28  N   LIG    1       -4.937   1.442   1.788  0.00  0.00    -0.083 NA
ATOM     29  O   LIG    1       -3.734   0.785   1.608  0.00  0.00    -0.359 OA
ATOM     30  C   LIG    1       -3.774   0.072   0.450  0.00  0.00    +0.150 A 
ATOM     31  C   LIG    1       -5.006   0.242  -0.138  0.00  0.00    +0.071 A 
ENDBRANCH  25  30
BRANCH  25  32
ATOM     32  C   LIG    1       -2.800  -2.221   0.040  0.00  0.00    +0.002 C 
ATOM     33  C   LIG    1       -1.519  -2.984  -0.326  0.00  0.00    +0.008 C 
ATOM     34  C   LIG    1       -3.321  -2.761   1.380  0.00  0.00    +0.008 C 
ENDBRANCH  25  32
ENDBRANCH   1  25
TORSDOF 5