REMARK  Name = BDB036241
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.200   0.081   0.989  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -1.849  -0.114  -0.378  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.505  -0.245  -0.666  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.397  -0.384  -2.031  0.00  0.00    +0.120 A 
ATOM      5  C   LIG    1       -1.687  -0.352  -2.515  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        0.499  -0.228   0.324  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.162  -0.051   1.572  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.580  -0.199  -1.473  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -1.175   0.111   1.869  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -6.448   1.658   3.249  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -5.416   0.942   2.463  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1       -5.738  -0.142   1.752  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1       -4.580  -0.515   1.161  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1       -4.603  -1.706   0.343  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1       -3.517   0.296   1.493  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1       -4.044   1.245   2.350  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   6  17
ATOM     17  N   LIG    1        1.812  -0.401  -0.062  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        1.969  -0.864  -0.949  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.842  -0.704   0.917  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.190  -0.596   0.267  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        4.809   0.630   0.038  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        4.333   2.007   0.313  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1        5.640   2.768   0.088  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        6.500   1.982  -0.770  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        6.038   0.702  -0.605  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        6.704  -0.422  -1.052  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        6.106  -1.662  -0.828  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        4.866  -1.739  -0.179  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1        4.309  -2.946  -0.007  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
BRANCH   5  30
ATOM     30  C   LIG    1       -2.160  -0.453  -3.929  0.00  0.00    +0.135 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -3.412  -1.209  -3.965  0.00  0.00    -0.325 NA
ATOM     32  H   LIG    1       -4.043  -0.745  -3.303  0.00  0.00    +0.119 HD
ATOM     33  H   LIG    1       -3.240  -2.120  -3.540  0.00  0.00    +0.119 HD
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 6