REMARK  Name = BDB061181
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.996   0.042   0.182  0.00  0.00    +0.100 A 
ATOM      2  C   LIG    1        1.385   1.252   0.620  0.00  0.00    +0.186 A 
ATOM      3  N   LIG    1        0.034   1.383   0.386  0.00  0.00    -0.252 N 
ATOM      4  C   LIG    1       -0.316   2.596   0.903  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.753   3.219   1.341  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.737   0.424  -0.288  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.156  -0.661  -0.724  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1        1.828   2.381   1.141  0.00  0.00    -0.128 NA
ATOM      9  C   LIG    1        1.195  -0.815  -0.488  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        6.007   0.454  -1.060  0.00  0.00    +0.013 C 
ATOM     11  C   LIG    1        5.579  -0.704  -0.143  0.00  0.00    -0.010 C 
ATOM     12  C   LIG    1        4.130  -1.109  -0.414  0.00  0.00    +0.120 C 
ATOM     13  N   LIG    1        3.345  -0.201   0.391  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1        4.093   0.238   1.495  0.00  0.00    +0.220 C 
ATOM     15  O   LIG    1        3.709   0.809   2.503  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        5.517  -0.244   1.318  0.00  0.00    +0.104 C 
ATOM     17  C   LIG    1        6.537  -1.882  -0.326  0.00  0.00    +0.013 C 
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  N   LIG    1       -2.083   0.657  -0.476  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -2.396   1.621  -0.482  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.876  -0.195  -1.347  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.331   0.115  -1.152  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -5.040  -0.319  -0.035  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.609  -1.175   1.097  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.798  -0.962   2.034  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.943  -0.540   1.258  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -6.388  -0.022   0.117  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -7.091   0.713  -0.817  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -6.397   1.175  -1.935  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -5.036   0.878  -2.091  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -4.400   1.347  -3.174  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4