REMARK  Name = BDB014276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.007  -1.171   0.353  0.00  0.00    +0.055 A 
ATOM      2  N   LIG    1        0.716  -0.266  -0.411  0.00  0.00    -0.354 N 
ATOM      3  H   LIG    1        0.319   0.388  -1.078  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1        2.060  -0.346  -0.130  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1        2.217  -1.328   0.838  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1        3.422  -1.671   1.353  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        4.472  -0.984   0.857  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        4.406   0.009  -0.108  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        3.160   0.352  -0.633  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1        0.935  -1.843   1.135  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -1.835  -2.196  -0.959  0.00  0.00    +0.053 C 
ATOM     12  C   LIG    1       -1.491  -1.307   0.245  0.00  0.00    +0.128 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.194   0.055   0.272  0.00  0.00    -0.010 A 
ATOM     14  C   LIG    1       -2.937   0.557  -0.812  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.550   1.811  -0.740  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1       -3.426   2.576   0.412  0.00  0.00    +0.123 A 
ATOM     17  F   LIG    1       -4.016   3.777   0.474  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1       -2.698   2.113   1.498  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1       -2.085   0.861   1.428  0.00  0.00    +0.009 A 
ENDBRANCH  12  13
BRANCH  12  20
ATOM     20  O   LIG    1       -1.904  -2.044   1.401  0.00  0.00    -0.378 OA
ATOM     21  H   LIG    1       -2.804  -1.753   1.623  0.00  0.00    +0.211 HD
ENDBRANCH  12  20
ENDBRANCH   1  12
BRANCH   9  22
ATOM     22  C   LIG    1        2.968   1.387  -1.665  0.00  0.00    +0.339 C 
ATOM     23  O   LIG    1        1.900   1.698  -2.160  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1        4.118   1.980  -2.026  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1        3.852   2.638  -2.703  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH   9  22
TORSDOF 5