REMARK  Name = BDB043216
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.207   0.980  -0.136  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -0.451  -0.324   0.040  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.725  -0.740   0.053  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.762   0.161  -0.094  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1       -2.444   1.491  -0.283  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1       -1.169   1.892  -0.310  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.025  -2.105   0.265  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -2.696  -2.730  -0.896  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -3.077  -4.195  -0.573  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -1.920  -5.008  -0.140  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -2.341  -6.361   0.213  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -1.267  -4.347   1.014  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -0.850  -2.891   0.702  0.00  0.00    +0.122 C 
ENDBRANCH   3   7
BRANCH   1  14
ATOM     14  N   LIG    1        1.084   1.500  -0.152  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1        1.011   2.505  -0.236  0.00  0.00    +0.155 HD
BRANCH  14  19
ATOM     16  C   LIG    1        5.020  -0.033   0.194  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        3.928  -0.904   0.180  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        2.618  -0.415   0.068  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1        2.362   0.952  -0.035  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        3.467   1.816  -0.022  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        4.779   1.334   0.091  0.00  0.00    +0.025 A 
BRANCH  16  24
ATOM     22  C   LIG    1        8.678  -0.903   0.485  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1        7.519   0.053   0.350  0.00  0.00    +0.214 C 
ATOM     24  N   LIG    1        6.303  -0.605   0.309  0.00  0.00    -0.286 N 
ATOM     25  H   LIG    1        6.329  -1.615   0.376  0.00  0.00    +0.155 HD
ATOM     26  O   LIG    1        7.708   1.263   0.312  0.00  0.00    -0.276 OA
ENDBRANCH  16  24
ENDBRANCH  14  19
ENDBRANCH   1  14
BRANCH   5  27
ATOM     27  N   LIG    1       -3.508   2.415  -0.415  0.00  0.00    -0.283 N 
ATOM     28  H   LIG    1       -4.242   2.029  -0.993  0.00  0.00    +0.155 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -3.462   3.762  -0.294  0.00  0.00    +0.146 A 
ATOM     30  N   LIG    1       -2.554   4.498   0.351  0.00  0.00    -0.158 NA
ATOM     31  N   LIG    1       -2.962   5.762   0.194  0.00  0.00    -0.280 N 
ATOM     32  H   LIG    1       -2.397   6.498   0.604  0.00  0.00    +0.189 HD
ATOM     33  C   LIG    1       -4.125   5.881  -0.512  0.00  0.00    +0.035 A 
ATOM     34  C   LIG    1       -4.756   7.187  -0.789  0.00  0.00    +0.065 C 
ATOM     35  C   LIG    1       -4.478   4.590  -0.838  0.00  0.00    +0.068 A 
ENDBRANCH  27  29
ENDBRANCH   5  27
TORSDOF 6