@MOLECULE methyl (7alpha,19alpha,20alpha)-19-methyl-2-oxoformosanan-16-carboxylate 51 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0583 -1.5119 1.4917 O.2 1 UNL1111111111 -0.3440 2 O 2.7783 1.1542 -2.6850 O.2 1 UNL1111111111 -0.4755 3 O -2.4707 2.4728 -0.9500 O.3 1 UNL1111111111 -0.4000 4 O -3.9494 2.4994 0.7429 O.2 1 UNL1111111111 -0.5422 5 N 0.4183 -1.9441 -0.9536 N.3 1 UNL1111111111 -0.4467 6 N 3.2487 1.7770 -0.5249 N.am 1 UNL1111111111 -0.5690 7 C 0.6344 -0.4859 -1.1701 C.3 1 UNL1111111111 0.0521 8 C 2.1309 -0.3181 -0.8032 C.3 1 UNL1111111111 -0.0546 9 C -0.3711 0.2833 -0.3155 C.3 1 UNL1111111111 -0.3014 10 C -1.9938 -1.6664 -0.7155 C.3 1 UNL1111111111 -0.1824 11 C -1.8016 -0.1280 -0.7232 C.3 1 UNL1111111111 -0.0510 12 C 2.7814 -1.6303 -1.2908 C.3 1 UNL1111111111 -0.2776 13 C -0.8737 -2.3657 -1.5197 C.3 1 UNL1111111111 -0.1112 14 C 1.6140 -2.6280 -1.5036 C.3 1 UNL1111111111 -0.1066 15 C 2.3912 -0.0258 0.6455 C.ar 1 UNL1111111111 -0.1113 16 C -2.0098 -2.1651 0.7342 C.3 1 UNL1111111111 0.1407 17 C 2.7305 0.9125 -1.5088 C.2 1 UNL1111111111 0.5606 18 C -2.7817 0.4855 0.2222 C.2 1 UNL1111111111 -0.3625 19 C 3.0499 1.2291 0.7582 C.ar 1 UNL1111111111 0.1943 20 C 2.0833 -0.7531 1.7732 C.ar 1 UNL1111111111 -0.0822 21 C -2.3677 -3.6378 0.8809 C.3 1 UNL1111111111 -0.4798 22 C -3.3262 -0.2350 1.2283 C.2 1 UNL1111111111 0.2190 23 C 3.4014 1.7568 1.9901 C.ar 1 UNL1111111111 -0.2453 24 C -3.1524 1.8836 0.0729 C.2 1 UNL1111111111 0.6309 25 C 2.4339 -0.2255 3.0248 C.ar 1 UNL1111111111 -0.2049 26 C 3.0786 1.0033 3.1259 C.ar 1 UNL1111111111 -0.0862 27 C -2.7545 3.8505 -1.1651 C.3 1 UNL1111111111 -0.1704 28 H 0.5027 -0.1937 -2.2482 H 1 UNL1111111111 0.1412 29 H -0.2411 1.3749 -0.4452 H 1 UNL1111111111 0.1619 30 H -0.2071 0.0853 0.7606 H 1 UNL1111111111 0.1626 31 H -2.9735 -1.9014 -1.1951 H 1 UNL1111111111 0.1496 32 H -1.9942 0.2417 -1.7637 H 1 UNL1111111111 0.1576 33 H 3.5037 -2.0125 -0.5512 H 1 UNL1111111111 0.1556 34 H 3.3409 -1.4741 -2.2295 H 1 UNL1111111111 0.1582 35 H -0.9623 -3.4686 -1.4279 H 1 UNL1111111111 0.1374 36 H -0.9818 -2.1241 -2.5996 H 1 UNL1111111111 0.1228 37 H 1.5177 -2.9021 -2.5714 H 1 UNL1111111111 0.1209 38 H 1.7638 -3.5625 -0.9274 H 1 UNL1111111111 0.1418 39 H -1.0596 -1.9109 1.2594 H 1 UNL1111111111 0.1565 40 H 3.6909 2.6542 -0.7039 H 1 UNL1111111111 0.3315 41 H 1.5704 -1.7120 1.6887 H 1 UNL1111111111 0.1691 42 H -1.5160 -4.2761 0.6186 H 1 UNL1111111111 0.1585 43 H -2.6444 -3.8702 1.9195 H 1 UNL1111111111 0.1650 44 H -3.2193 -3.9214 0.2524 H 1 UNL1111111111 0.1558 45 H -4.0684 0.1165 1.9509 H 1 UNL1111111111 0.1790 46 H 3.9024 2.7136 2.0803 H 1 UNL1111111111 0.1627 47 H 2.1939 -0.7867 3.9244 H 1 UNL1111111111 0.1531 48 H 3.3395 1.3949 4.1089 H 1 UNL1111111111 0.1470 49 H -2.1010 4.1056 -2.0070 H 1 UNL1111111111 0.1442 50 H -2.5048 4.4331 -0.2721 H 1 UNL1111111111 0.1387 51 H -3.8102 3.9853 -1.4211 H 1 UNL1111111111 0.1366 @BOND 1 1 16 1 2 1 22 1 3 2 17 2 4 3 24 1 5 3 27 1 6 4 24 2 7 5 7 1 8 5 13 1 9 5 14 1 10 6 17 am 11 6 19 1 12 6 40 1 13 7 8 1 14 7 9 1 15 7 28 1 16 8 12 1 17 8 15 1 18 8 17 1 19 9 11 1 20 9 29 1 21 9 30 1 22 10 11 1 23 10 13 1 24 10 16 1 25 10 31 1 26 11 18 1 27 11 32 1 28 12 14 1 29 12 33 1 30 12 34 1 31 13 35 1 32 13 36 1 33 14 37 1 34 14 38 1 35 15 19 ar 36 15 20 ar 37 16 21 1 38 16 39 1 39 18 22 2 40 18 24 1 41 19 23 ar 42 20 25 ar 43 20 41 1 44 21 42 1 45 21 43 1 46 21 44 1 47 22 45 1 48 23 26 ar 49 23 46 1 50 25 26 ar 51 25 47 1 52 26 48 1 53 27 49 1 54 27 50 1 55 27 51 1