@MOLECULE 2-methylpentanoic anhydride 37 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.2781 0.2447 0.5397 C.3 1 UNL11111111 -0.1604 2 H 1.9880 1.3264 0.5047 H 1 UNL11111111 0.1710 3 C 2.3619 -0.2133 1.9967 C.3 1 UNL11111111 -0.4382 4 C 3.5994 0.0395 -0.2163 C.3 1 UNL11111111 -0.2745 5 C 4.6465 1.0812 0.1945 C.3 1 UNL11111111 -0.2455 6 C 5.9464 0.8705 -0.5815 C.3 1 UNL11111111 -0.4396 7 C 1.2091 -0.5854 -0.1295 C.2 1 UNL11111111 0.6236 8 O 1.3128 -1.6000 -0.7494 O.2 1 UNL11111111 -0.4358 9 O 0.0002 0.0612 0.0141 O.3 1 UNL11111111 -0.5570 10 C -1.2097 -0.5931 -0.0777 C.2 1 UNL11111111 0.6237 11 O -1.3157 -1.7598 0.1503 O.2 1 UNL11111111 -0.4356 12 C -2.2768 0.4199 -0.4168 C.3 1 UNL11111111 -0.1604 13 H -1.9886 1.4198 -0.0015 H 1 UNL11111111 0.1711 14 C -2.3525 0.5045 -1.9423 C.3 1 UNL11111111 -0.4382 15 C -3.6015 -0.0381 0.2116 C.3 1 UNL11111111 -0.2746 16 C -4.6449 1.0850 0.1994 C.3 1 UNL11111111 -0.2456 17 C -5.9530 0.6087 0.8308 C.3 1 UNL11111111 -0.4395 18 H 1.4083 -0.0655 2.5204 H 1 UNL11111111 0.1567 19 H 2.6222 -1.2775 2.0757 H 1 UNL11111111 0.1601 20 H 3.1273 0.3496 2.5442 H 1 UNL11111111 0.1543 21 H 3.9846 -0.9845 -0.0385 H 1 UNL11111111 0.1578 22 H 3.4247 0.0964 -1.3098 H 1 UNL11111111 0.1499 23 H 4.2608 2.1025 0.0144 H 1 UNL11111111 0.1330 24 H 4.8438 1.0178 1.2816 H 1 UNL11111111 0.1353 25 H 6.3812 -0.1147 -0.3761 H 1 UNL11111111 0.1455 26 H 5.7859 0.9388 -1.6637 H 1 UNL11111111 0.1454 27 H 6.6960 1.6228 -0.3128 H 1 UNL11111111 0.1397 28 H -3.1162 1.2241 -2.2609 H 1 UNL11111111 0.1543 29 H -1.3967 0.8274 -2.3755 H 1 UNL11111111 0.1567 30 H -2.6106 -0.4638 -2.3920 H 1 UNL11111111 0.1600 31 H -3.9881 -0.9289 -0.3227 H 1 UNL11111111 0.1577 32 H -3.4311 -0.3776 1.2533 H 1 UNL11111111 0.1501 33 H -4.2624 1.9683 0.7451 H 1 UNL11111111 0.1330 34 H -4.8299 1.4248 -0.8373 H 1 UNL11111111 0.1353 35 H -6.3708 -0.2490 0.2907 H 1 UNL11111111 0.1457 36 H -5.8088 0.3022 1.8732 H 1 UNL11111111 0.1453 37 H -6.7094 1.4011 0.8236 H 1 UNL11111111 0.1396 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 2 11 10 12 1 12 12 13 1 13 12 14 1 14 12 15 1 15 15 16 1 16 16 17 1 17 3 18 1 18 3 19 1 19 3 20 1 20 4 21 1 21 4 22 1 22 5 23 1 23 5 24 1 24 6 25 1 25 6 26 1 26 6 27 1 27 14 28 1 28 14 29 1 29 14 30 1 30 15 31 1 31 15 32 1 32 16 33 1 33 16 34 1 34 17 35 1 35 17 36 1 36 17 37 1