REMARK  Name = BDB043225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.271  -0.120  -0.296  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -0.702  -1.364  -0.068  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -2.022  -1.602  -0.116  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.906  -0.567  -0.354  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1       -2.389   0.696  -0.576  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1       -1.070   0.912  -0.561  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.483  -2.893   0.135  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -1.461  -3.883   0.519  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -2.149  -5.205   0.927  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -2.940  -5.838  -0.155  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -4.075  -6.570   0.399  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -3.359  -4.848  -1.167  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -3.619  -3.413  -0.647  0.00  0.00    +0.122 C 
ENDBRANCH   3   7
BRANCH   1  14
ATOM     14  N   LIG    1        1.107   0.063  -0.229  0.00  0.00    -0.309 N 
ATOM     15  H   LIG    1        1.463  -0.723   0.301  0.00  0.00    +0.149 HD
BRANCH  14  16
ATOM     16  C   LIG    1        1.472   1.365   0.293  0.00  0.00    +0.139 C 
BRANCH  16  20
ATOM     17  C   LIG    1        5.756   1.434   0.931  0.00  0.00    +0.059 A 
ATOM     18  C   LIG    1        5.234   1.429  -0.368  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        3.851   1.409  -0.568  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        2.969   1.397   0.523  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        3.495   1.395   1.821  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        4.878   1.416   2.024  0.00  0.00    +0.015 A 
BRANCH  17  23
ATOM     23  C   LIG    1        7.219   1.454   1.206  0.00  0.00    +0.339 C 
ATOM     24  O   LIG    1        7.694   1.460   2.331  0.00  0.00    -0.245 OA
BRANCH  23  26
ATOM     25  C   LIG    1        9.341   1.485   0.232  0.00  0.00    +0.280 C 
ATOM     26  O   LIG    1        7.925   1.467   0.047  0.00  0.00    -0.464 OA
ENDBRANCH  23  26
ENDBRANCH  17  23
ENDBRANCH  16  20
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   5  27
ATOM     27  N   LIG    1       -3.300   1.758  -0.791  0.00  0.00    -0.283 N 
ATOM     28  H   LIG    1       -4.012   1.478  -1.452  0.00  0.00    +0.155 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -3.062   3.085  -0.659  0.00  0.00    +0.146 A 
ATOM     30  N   LIG    1       -2.151   3.680   0.115  0.00  0.00    -0.158 NA
ATOM     31  N   LIG    1       -2.326   4.989  -0.097  0.00  0.00    -0.280 N 
ATOM     32  H   LIG    1       -1.712   5.635   0.386  0.00  0.00    +0.189 HD
ATOM     33  C   LIG    1       -3.350   5.276  -0.954  0.00  0.00    +0.035 A 
ATOM     34  C   LIG    1       -3.724   6.660  -1.310  0.00  0.00    +0.065 C 
ATOM     35  C   LIG    1       -3.854   4.051  -1.332  0.00  0.00    +0.068 A 
ENDBRANCH  27  29
ENDBRANCH   5  27
TORSDOF 8