REMARK  Name = BDB021260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.050   0.201  -0.664  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.524  -0.715   0.308  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.793  -0.540   0.697  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.087  -1.532   1.606  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.076  -2.252   1.740  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.616   0.487   0.194  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -1.132   1.307  -0.696  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.067  -1.742   0.942  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.176   1.140  -1.096  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  N   LIG    1        4.447  -0.519  -1.636  0.00  0.00    -0.270 N 
ATOM     11  N   LIG    1        4.372   0.707  -2.189  0.00  0.00    -0.179 NA
ATOM     12  C   LIG    1        3.138   1.115  -1.882  0.00  0.00    +0.143 A 
ATOM     13  C   LIG    1        2.401   0.145  -1.164  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        3.281  -0.910  -1.041  0.00  0.00    +0.117 A 
BRANCH  10  15
ATOM     15  C   LIG    1        5.650  -1.310  -1.787  0.00  0.00    +0.158 C 
BRANCH  15  16
ATOM     16  C   LIG    1        6.356  -1.679  -0.470  0.00  0.00    +0.107 C 
BRANCH  16  18
ATOM     17  C   LIG    1        6.276   0.332   0.924  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1        7.123  -0.662   0.270  0.00  0.00    -0.307 NA
ATOM     19  C   LIG    1        8.147  -0.012  -0.543  0.00  0.00    +0.104 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  10  15
ENDBRANCH   1  13
BRANCH   5  20
ATOM     20  C   LIG    1        0.294  -3.396   2.573  0.00  0.00    +0.121 C 
ATOM     21  N   LIG    1        0.435  -4.323   3.259  0.00  0.00    -0.189 NA
ENDBRANCH   5  20
BRANCH   6  22
ATOM     22  N   LIG    1       -2.911   0.586   0.655  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.109   0.193   1.569  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.723   1.754   0.358  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.145   1.484   0.757  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.970   0.628   0.033  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.677  -0.193  -1.167  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -7.102  -0.602  -1.540  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.942  -0.510  -0.365  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -7.271   0.369   0.444  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.812   0.937   1.580  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -7.006   1.804   2.318  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.693   2.067   1.906  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.942   2.889   2.654  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 8