REMARK  Name = BDB048835
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.073   0.149  -0.371  0.00  0.00    +0.081 C 
ATOM      2  C   LIG    1       -1.657   0.448  -0.437  0.00  0.00    +0.169 C 
ATOM      3  C   LIG    1       -0.904  -0.652   0.132  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1       -1.889  -1.570   0.536  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -1.525  -2.770   1.120  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.162  -3.034   1.295  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        0.824  -2.115   0.886  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        0.449  -0.909   0.288  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -3.248  -1.057   0.219  0.00  0.00    +0.002 C 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1       -4.535  -1.679   0.545  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1       -5.385  -2.148  -0.463  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -6.600  -2.755  -0.137  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -6.971  -2.902   1.199  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -6.129  -2.442   2.210  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -4.915  -1.833   1.885  0.00  0.00    +0.008 A 
ENDBRANCH   9  10
BRANCH   2  16
ATOM     16  N   LIG    1       -1.112   1.572  -1.124  0.00  0.00    -0.181 N 
ATOM     17  O   LIG    1       -1.635   1.883  -2.413  0.00  0.00    -0.173 OA
ATOM     18  C   LIG    1       -0.062   2.394  -0.535  0.00  0.00    +0.191 C 
ENDBRANCH   2  16
BRANCH   1  19
ATOM     19  C   LIG    1       -4.136   1.074  -0.810  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1       -5.097   0.764  -1.495  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -3.878   2.305  -0.289  0.00  0.00    -0.462 OA
BRANCH  21  23
ATOM     22  C   LIG    1       -4.429   3.964  -1.964  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1       -4.818   3.328  -0.642  0.00  0.00    +0.229 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   1  19
BRANCH   7  24
ATOM     24  O   LIG    1        2.105  -2.534   1.119  0.00  0.00    -0.491 OA
BRANCH  24  25
ATOM     25  C   LIG    1        3.189  -1.648   0.823  0.00  0.00    +0.244 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.635  -1.798  -0.644  0.00  0.00    +0.125 C 
BRANCH  26  27
ATOM     27  N   LIG    1        4.726  -0.934  -1.103  0.00  0.00    -0.297 NA
ATOM     28  C   LIG    1        4.342   0.478  -1.250  0.00  0.00    +0.100 C 
ATOM     29  C   LIG    1        5.565   1.415  -1.379  0.00  0.00    +0.099 C 
ATOM     30  N   LIG    1        6.487   1.367  -0.228  0.00  0.00    -0.303 NA
ATOM     31  C   LIG    1        6.320   2.510   0.663  0.00  0.00    +0.105 C 
ATOM     32  C   LIG    1        6.376   0.097   0.516  0.00  0.00    +0.099 C 
ATOM     33  C   LIG    1        5.998  -1.105  -0.380  0.00  0.00    +0.100 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 9