@MOLECULE mimosamycin 28 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.4031 0.6586 0.0411 O.2 1 UNL1 -0.2674 2 O -0.5088 -2.9466 -0.1266 O.2 1 UNL1 -0.3958 3 O -1.1022 2.3750 -0.0830 O.2 1 UNL1 -0.4617 4 O 4.1258 -0.9143 0.0457 O.2 1 UNL1 -0.4785 5 N 2.7325 0.8709 0.0274 N.ar 1 UNL1 -0.3546 6 C 0.3650 0.5617 -0.0293 C.ar 1 UNL1 -0.3542 7 C 0.5435 -0.8499 -0.0337 C.ar 1 UNL1 0.0246 8 C -1.9765 -1.1118 0.0307 C.2 1 UNL1 -0.1839 9 C -0.6569 -1.7494 -0.0512 C.2 1 UNL1 0.4486 10 C -0.9610 1.1712 -0.0467 C.2 1 UNL1 0.4592 11 C -2.1223 0.2356 0.0029 C.2 1 UNL1 0.1212 12 C 1.4769 1.3873 -0.0011 C.ar 1 UNL1 0.1814 13 C 1.7891 -1.3852 -0.0076 C.ar 1 UNL1 -0.2828 14 C 2.9737 -0.5502 0.0220 C.ar 1 UNL1 0.5712 15 C -3.1567 -2.0057 0.1410 C.3 1 UNL1 -0.4127 16 C 3.8815 1.7816 0.0437 C.3 1 UNL1 -0.2650 17 C -3.6692 2.0580 0.0064 C.3 1 UNL1 -0.1992 18 H 1.3617 2.4855 0.0070 H 1 UNL1 0.1888 19 H 1.9646 -2.4651 -0.0098 H 1 UNL1 0.2125 20 H -3.8415 -1.8817 -0.7161 H 1 UNL1 0.1615 21 H -3.7403 -1.7863 1.0487 H 1 UNL1 0.1598 22 H -2.8756 -3.0723 0.1797 H 1 UNL1 0.1729 23 H 3.9372 2.3630 -0.8934 H 1 UNL1 0.1579 24 H 4.8312 1.2100 0.1339 H 1 UNL1 0.1959 25 H 3.8319 2.4742 0.9010 H 1 UNL1 0.1566 26 H -3.2387 2.5645 0.8764 H 1 UNL1 0.1488 27 H -4.7660 2.0739 0.0469 H 1 UNL1 0.1453 28 H -3.3059 2.5077 -0.9238 H 1 UNL1 0.1494 @BOND 1 28 17 1 2 23 16 1 3 20 15 1 4 2 9 2 5 3 10 2 6 9 7 1 7 9 8 1 8 10 6 1 9 10 11 1 10 7 6 ar 11 7 13 ar 12 6 12 ar 13 19 13 1 14 13 14 ar 15 12 18 1 16 12 5 ar 17 11 8 2 18 11 1 1 19 17 1 1 20 17 27 1 21 17 26 1 22 14 5 ar 23 14 4 2 24 5 16 1 25 8 15 1 26 16 24 1 27 16 25 1 28 15 22 1 29 15 21 1