@MOLECULE 71587651 30 29 1 SMALL USER_CHARGES @ATOM 1 P1 0.4871 -2.9345 1.4349 P 1 noname 0.0000 2 P2 -1.4249 -0.4002 -2.1941 P 1 noname 0.0000 3 P3 2.4664 1.2496 0.1348 P 1 noname 0.0000 4 O1 -0.2752 -0.0578 0.6316 O.3 1 noname 0.0000 5 O2 1.5459 -3.8173 2.2229 O.3 1 noname 0.0000 6 O3 -2.3858 -1.3346 -3.0417 O.3 1 noname 0.0000 7 O4 3.1521 2.4027 -0.7204 O.3 1 noname 0.0000 8 O5 -0.3815 -2.2387 2.5747 O.3 1 noname 0.0000 9 O6 -2.3876 0.3438 -1.1761 O.3 1 noname 0.0000 10 O7 1.5688 2.0454 1.1729 O.3 1 noname 0.0000 11 O8 -0.3694 -3.8626 0.6602 O.2 1 noname 0.0000 12 O9 -0.8020 0.5805 -3.0846 O.2 1 noname 0.0000 13 O10 3.5019 0.5207 0.8629 O.2 1 noname 0.0000 14 N1 0.5401 -0.7262 -0.2577 N.3 1 noname 0.0000 15 C1 1.4669 0.3040 -0.8987 C.3 1 noname 0.0000 16 C2 -0.3395 -1.3849 -1.3083 C.3 1 noname 0.0000 17 C3 1.3349 -1.7694 0.5156 C.3 1 noname 0.0000 18 H1 1.9189 -1.2997 1.3012 H 1 noname 0.0000 19 H2 2.0573 -2.2724 -0.1205 H 1 noname 0.0000 20 H3 -1.0326 -2.0615 -0.8206 H 1 noname 0.0000 21 H4 0.2354 -1.9919 -2.0015 H 1 noname 0.0000 22 H5 0.8897 1.0856 -1.3882 H 1 noname 0.0000 23 H6 2.0903 -0.1274 -1.6850 H 1 noname 0.0000 24 H7 0.9640 -4.4802 2.6483 H 1 noname 0.0000 25 H8 -2.8810 -0.6826 -3.5771 H 1 noname 0.0000 26 H9 3.7244 2.8222 -0.0442 H 1 noname 0.0000 27 H10 -1.1484 -0.5036 0.7213 H 1 noname 0.0000 28 H11 -1.2334 -1.9841 2.1534 H 1 noname 0.0000 29 H12 -3.0533 0.8616 -1.6751 H 1 noname 0.0000 30 H13 2.1383 2.6270 1.7187 H 1 noname 0.0000 @BOND 1 1 5 1 2 1 8 1 3 1 11 2 4 1 17 1 5 2 6 1 6 2 9 1 7 2 12 2 8 2 16 1 9 3 7 1 10 3 10 1 11 3 13 2 12 3 15 1 13 4 14 1 14 4 27 1 15 5 24 1 16 6 25 1 17 7 26 1 18 8 28 1 19 9 29 1 20 10 30 1 21 14 15 1 22 14 16 1 23 14 17 1 24 15 22 1 25 15 23 1 26 16 20 1 27 16 21 1 28 17 18 1 29 17 19 1 @SUBSTRUCTURE 1 noname 1