REMARK  Name = BDB011137
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.867  -1.971   0.826  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1       -2.417  -0.755   1.225  0.00  0.00    +0.221 A 
ATOM      3  N   LIG    1       -3.743  -0.510   1.306  0.00  0.00    -0.213 NA
ATOM      4  C   LIG    1       -4.592  -1.502   0.995  0.00  0.00    +0.075 A 
ATOM      5  C   LIG    1       -4.148  -2.774   0.581  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -5.076  -3.781   0.264  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -6.444  -3.532   0.354  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -6.888  -2.279   0.761  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -5.960  -1.281   1.075  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1       -2.767  -2.991   0.498  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -0.371  -2.152   0.719  0.00  0.00    +0.161 C 
BRANCH  11  12
ATOM     12  O   LIG    1       -0.047  -3.546   0.838  0.00  0.00    -0.386 OA
ATOM     13  H   LIG    1        0.924  -3.606   0.811  0.00  0.00    +0.210 HD
ENDBRANCH  11  12
BRANCH  11  14
ATOM     14  C   LIG    1        0.157  -1.608  -0.621  0.00  0.00    +0.125 C 
BRANCH  14  16
ATOM     15  C   LIG    1        2.827  -1.426  -0.623  0.00  0.00    -0.102 C 
ATOM     16  C   LIG    1        1.629  -1.512  -0.622  0.00  0.00    -0.099 C 
BRANCH  15  17
ATOM     17  C   LIG    1        4.293  -1.310  -0.630  0.00  0.00    +0.089 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.727   0.145  -0.478  0.00  0.00    +0.024 C 
BRANCH  18  19
ATOM     19  C   LIG    1        6.245   0.275  -0.489  0.00  0.00    +0.121 C 
BRANCH  19  20
ATOM     20  C   LIG    1        6.653   1.712  -0.300  0.00  0.00    +0.307 C 
ATOM     21  O   LIG    1        6.934   2.207   0.782  0.00  0.00    -0.251 OA
BRANCH  20  23
ATOM     22  C   LIG    1        6.988   3.751  -1.395  0.00  0.00    +0.280 C 
ATOM     23  O   LIG    1        6.634   2.371  -1.490  0.00  0.00    -0.468 OA
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   2  24
ATOM     24  O   LIG    1       -1.532   0.267   1.513  0.00  0.00    -0.476 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -2.126   1.458   2.033  0.00  0.00    +0.231 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.557   2.410   0.916  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.395   2.771  -0.012  0.00  0.00    +0.116 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.817   3.756  -1.078  0.00  0.00    +0.390 C 
ATOM     29  F   LIG    1       -2.798   3.255  -1.857  0.00  0.00    -0.171 F 
ATOM     30  F   LIG    1       -2.264   4.908  -0.532  0.00  0.00    -0.171 F 
ATOM     31  F   LIG    1       -0.772   4.062  -1.879  0.00  0.00    -0.171 F 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   2  24
TORSDOF 14