REMARK  Name = BDB058349
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.275   1.532  -3.811  0.00  0.00    +0.116 A 
ATOM      2  C   LIG    1       -0.885   1.139  -2.642  0.00  0.00    +0.177 A 
ATOM      3  N   LIG    1        0.059   1.332  -1.624  0.00  0.00    -0.199 N 
ATOM      4  C   LIG    1       -0.267   1.026  -0.277  0.00  0.00    +0.130 A 
ATOM      5  C   LIG    1       -1.518   0.600  -0.019  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1       -2.479   0.387  -1.156  0.00  0.00    +0.127 A 
ATOM      7  N   LIG    1        1.220   1.851  -2.133  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.136   0.656  -2.397  0.00  0.00    -0.212 NA
ATOM      9  C   LIG    1        1.003   1.957  -3.442  0.00  0.00    +0.156 A 
ENDROOT
BRANCH   6  10
ATOM     10  N   LIG    1       -3.762  -0.094  -0.940  0.00  0.00    -0.310 N 
ATOM     11  C   LIG    1       -4.384  -0.422   0.352  0.00  0.00    +0.100 C 
ATOM     12  C   LIG    1       -5.886  -0.298   0.055  0.00  0.00    +0.026 C 
ATOM     13  C   LIG    1       -5.995  -0.742  -1.392  0.00  0.00    +0.021 C 
ATOM     14  C   LIG    1       -4.749  -0.137  -2.024  0.00  0.00    +0.107 C 
BRANCH  11  15
ATOM     15  C   LIG    1       -4.017  -1.855   0.794  0.00  0.00    +0.178 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -2.740  -1.881   1.431  0.00  0.00    -0.393 OA
ATOM     17  H   LIG    1       -2.491  -2.817   1.526  0.00  0.00    +0.209 HD
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   6  10
BRANCH   1  19
ATOM     18  N   LIG    1       -1.268   1.510  -6.195  0.00  0.00    -0.191 NA
ATOM     19  C   LIG    1       -0.842   1.512  -5.114  0.00  0.00    +0.104 C 
ENDBRANCH   1  19
BRANCH   4  20
ATOM     20  N   LIG    1        0.660   1.247   0.745  0.00  0.00    -0.299 N 
ATOM     21  H   LIG    1        0.233   1.263   1.669  0.00  0.00    +0.154 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.960   0.690   0.842  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        2.797   1.155   1.870  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        4.099   0.662   2.026  0.00  0.00    -0.024 A 
ATOM     25  C   LIG    1        5.030   1.230   3.059  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1        6.053   0.197   3.505  0.00  0.00    +0.101 C 
ATOM     27  C   LIG    1        6.694  -0.510   2.333  0.00  0.00    +0.218 C 
ATOM     28  N   LIG    1        5.883  -0.777   1.263  0.00  0.00    -0.285 N 
ATOM     29  H   LIG    1        6.285  -1.359   0.539  0.00  0.00    +0.155 HD
ATOM     30  O   LIG    1        7.853  -0.918   2.367  0.00  0.00    -0.275 OA
ATOM     31  C   LIG    1        4.579  -0.294   1.129  0.00  0.00    +0.037 A 
ATOM     32  C   LIG    1        3.776  -0.747   0.087  0.00  0.00    +0.025 A 
ATOM     33  C   LIG    1        2.473  -0.258  -0.051  0.00  0.00    +0.025 A 
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 6