REMARK  Name = BDB021181
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.720   2.431  -0.364  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1        2.294   1.227   0.010  0.00  0.00    -0.222 NA
ATOM      3  C   LIG    1        1.327   0.537   0.588  0.00  0.00    +0.152 A 
ATOM      4  N   LIG    1        0.138   1.241   0.591  0.00  0.00    -0.271 N 
ATOM      5  C   LIG    1       -1.059   0.728   1.137  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1       -1.052  -0.460   1.680  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        0.132  -1.165   1.697  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1        1.312  -0.758   1.181  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1        0.384   2.448  -0.017  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.434  -1.627   1.309  0.00  0.00    +0.074 A 
ATOM     11  N   LIG    1        3.241  -1.952   0.241  0.00  0.00    -0.266 N 
ATOM     12  C   LIG    1        3.111  -1.579  -1.150  0.00  0.00    +0.173 C 
ATOM     13  N   LIG    1        4.252  -2.784   0.574  0.00  0.00    -0.176 NA
ATOM     14  C   LIG    1        4.093  -2.998   1.883  0.00  0.00    +0.061 A 
ATOM     15  C   LIG    1        5.038  -3.871   2.617  0.00  0.00    +0.067 C 
ATOM     16  C   LIG    1        2.970  -2.309   2.386  0.00  0.00    +0.052 A 
ENDBRANCH   8  10
BRANCH   1  20
ATOM     17  C   LIG    1        4.708   4.051  -1.892  0.00  0.00    +0.128 C 
ATOM     18  N   LIG    1        3.798   3.202  -1.175  0.00  0.00    -0.313 N 
ATOM     19  H   LIG    1        4.085   2.277  -0.868  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        2.463   3.499  -1.033  0.00  0.00    +0.264 C 
ATOM     21  O   LIG    1        1.937   4.535  -1.425  0.00  0.00    -0.268 OA
ENDBRANCH   1  20
BRANCH   5  22
ATOM     22  N   LIG    1       -2.196   1.501   1.078  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.194   2.342   0.513  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.522   0.998   1.367  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.261   0.731   0.088  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.228  -0.498  -0.564  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.488  -1.741  -0.236  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -4.194  -2.706  -1.188  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -4.764  -1.951  -2.282  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -4.904  -0.690  -1.764  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -5.626   0.315  -2.375  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -5.673   1.556  -1.742  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -4.997   1.753  -0.530  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -5.046   2.966   0.038  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   5  22
TORSDOF 5