@MOLECULE FDBD02128 30 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.6024 1.2471 0.3174 C.3 1 UNK 0.0441 2 O 0.2170 -0.0860 -0.0236 O.3 1 UNK -0.3267 3 P 0.7472 -0.8419 -1.3425 P.3 1 UNK 0.2289 4 S 2.5779 -0.5499 -1.5322 S.2 1 UNK 0.0032 5 O1 0.4670 -2.4213 -1.2051 O.3 1 UNK -0.3267 6 C1 1.0847 -3.3974 -2.0463 C.3 1 UNK 0.0441 7 S1 -0.2684 -0.0895 -3.0445 S.3 1 UNK -0.0674 8 C2 0.0829 1.6889 -2.9763 C.3 1 UNK 0.0651 9 C3 1.5034 1.9374 -3.4136 C.3 1 UNK 0.1902 10 N 2.4567 1.9273 -2.5258 N.pl3 1 UNK -0.2062 11 C4 3.7485 2.1464 -2.8772 C.cat 1 UNK 0.3734 12 N1 4.6859 2.1302 -1.9659 N.2 1 UNK -0.1330 13 N2 4.0738 2.3865 -4.2005 N.pl3 1 UNK -0.1507 14 C5 3.0645 2.3976 -5.1427 C.cat 1 UNK 0.3734 15 N3 3.3317 2.6196 -6.3978 N.2 1 UNK -0.1330 16 N4 1.7676 2.1631 -4.7308 N.pl3 1 UNK -0.2062 17 H 0.1257 1.5334 1.2316 H 1 UNK 0.0528 18 H1 0.3056 1.9151 -0.4640 H 1 UNK 0.0528 19 H2 1.6645 1.2910 0.4399 H 1 UNK 0.0528 20 H3 0.7463 -4.3736 -1.7679 H 1 UNK 0.0528 21 H4 2.1475 -3.3431 -1.9348 H 1 UNK 0.0528 22 H5 0.8228 -3.2065 -3.0660 H 1 UNK 0.0528 23 H6 -0.0484 2.0402 -1.9742 H 1 UNK 0.0445 24 H7 -0.5872 2.2101 -3.6277 H 1 UNK 0.0445 25 H8 2.4607 2.3320 -3.6834 H 1 UNK 0.1077 26 H9 2.2354 1.7574 -1.5817 H 1 UNK 0.2477 27 H10 4.4543 1.9594 -1.0244 H 1 UNK 0.3058 28 H11 5.0083 2.5466 -4.4655 H 1 UNK 0.2568 29 H12 4.2596 2.7858 -6.6816 H 1 UNK 0.3058 30 H13 1.0348 2.1590 -5.3882 H 1 UNK 0.2477 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 3 5 1 5 3 7 1 6 5 6 1 7 7 8 1 8 8 9 1 9 9 16 1 10 9 10 1 11 10 11 1 12 11 12 2 13 11 13 1 14 13 14 1 15 14 15 2 16 14 16 1 17 1 17 1 18 1 18 1 19 1 19 1 20 6 20 1 21 6 21 1 22 6 22 1 23 8 23 1 24 8 24 1 25 9 25 1 26 10 26 1 27 12 27 1 28 13 28 1 29 15 29 1 30 16 30 1