@MOLECULE (15s,20r)-12-hydroxy-15,20-dihydro-15,20-epoxysenecionan-11,16-dione 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.2002 3.2934 0.1385 O.3 1 UNL1111111111 -0.3047 2 O 1.1326 0.5876 0.4724 O.3 1 UNL1111111111 -0.4225 3 O -0.6933 -1.9503 0.9174 O.3 1 UNL1111111111 -0.3989 4 O 0.6105 2.1209 2.0363 O.2 1 UNL1111111111 -0.4666 5 O -3.3399 -0.9522 -1.2129 O.3 1 UNL1111111111 -0.5421 6 O -1.3490 -2.8047 -1.0651 O.2 1 UNL1111111111 -0.5242 7 N 3.5960 -0.9136 -0.5369 N.3 1 UNL1111111111 -0.4266 8 C -0.5827 2.0310 -0.0945 C.3 1 UNL1111111111 0.0511 9 C -0.2326 3.2380 -0.9164 C.3 1 UNL1111111111 0.0394 10 C 2.6751 -1.2004 0.6162 C.3 1 UNL1111111111 0.0106 11 C -1.4372 0.9077 -0.6067 C.3 1 UNL1111111111 -0.2923 12 C 2.2723 0.1687 1.2249 C.3 1 UNL1111111111 0.1089 13 C -2.2962 0.2747 0.5056 C.3 1 UNL1111111111 -0.0867 14 C 3.4452 1.0938 0.8697 C.3 1 UNL1111111111 -0.3425 15 C 4.0535 0.4937 -0.4182 C.3 1 UNL1111111111 -0.1043 16 C 0.4122 1.6308 0.9589 C.2 1 UNL1111111111 0.5632 17 C 1.5284 -1.9831 0.0229 C.2 1 UNL1111111111 -0.1024 18 C 2.8211 -1.2200 -1.7822 C.3 1 UNL1111111111 -0.1248 19 C -2.7415 -1.1338 0.0474 C.3 1 UNL1111111111 0.2530 20 C -0.7540 3.4068 -2.3106 C.3 1 UNL1111111111 -0.4604 21 C 1.6022 -1.9770 -1.3163 C.2 1 UNL1111111111 -0.1285 22 C 0.5363 -2.6798 0.8735 C.3 1 UNL1111111111 -0.0143 23 C -3.5052 1.1591 0.8065 C.3 1 UNL1111111111 -0.4447 24 C -1.5251 -2.0590 -0.1361 C.2 1 UNL1111111111 0.5353 25 C -3.7105 -1.8316 0.9951 C.3 1 UNL1111111111 -0.4950 26 H 0.6917 3.7840 -0.6921 H 1 UNL1111111111 0.1531 27 H 3.2508 -1.7946 1.3643 H 1 UNL1111111111 0.1549 28 H -0.7782 0.1447 -1.0786 H 1 UNL1111111111 0.1681 29 H -2.1067 1.2538 -1.4246 H 1 UNL1111111111 0.1824 30 H 2.0211 0.1323 2.2998 H 1 UNL1111111111 0.1487 31 H -1.6854 0.1584 1.4369 H 1 UNL1111111111 0.1599 32 H 4.1856 1.1174 1.6871 H 1 UNL1111111111 0.1559 33 H 3.1133 2.1342 0.7258 H 1 UNL1111111111 0.1610 34 H 3.7927 1.1031 -1.3037 H 1 UNL1111111111 0.1279 35 H 5.1627 0.4614 -0.3603 H 1 UNL1111111111 0.1441 36 H 3.4758 -1.8492 -2.4238 H 1 UNL1111111111 0.1548 37 H 2.5412 -0.3217 -2.3664 H 1 UNL1111111111 0.1387 38 H -1.8488 3.2963 -2.3542 H 1 UNL1111111111 0.1712 39 H -0.5227 4.4029 -2.7117 H 1 UNL1111111111 0.1578 40 H -0.3200 2.6639 -2.9945 H 1 UNL1111111111 0.1633 41 H 0.9303 -2.4391 -2.0200 H 1 UNL1111111111 0.1733 42 H 0.3410 -3.7142 0.5227 H 1 UNL1111111111 0.1526 43 H 0.8147 -2.6990 1.9469 H 1 UNL1111111111 0.1512 44 H -4.2211 1.1544 -0.0256 H 1 UNL1111111111 0.1591 45 H -4.0326 0.8379 1.7101 H 1 UNL1111111111 0.1427 46 H -3.1964 2.2027 0.9651 H 1 UNL1111111111 0.1652 47 H -4.6818 -1.3156 0.9976 H 1 UNL1111111111 0.1757 48 H -3.9040 -2.8688 0.6976 H 1 UNL1111111111 0.1559 49 H -3.3323 -1.8402 2.0251 H 1 UNL1111111111 0.1681 50 H -3.3676 -1.7953 -1.7199 H 1 UNL1111111111 0.3342 @BOND 1 1 8 1 2 1 9 1 3 2 12 1 4 2 16 1 5 3 22 1 6 3 24 1 7 4 16 2 8 5 19 1 9 5 50 1 10 6 24 2 11 7 10 1 12 7 15 1 13 7 18 1 14 8 9 1 15 8 11 1 16 8 16 1 17 9 20 1 18 9 26 1 19 10 12 1 20 10 17 1 21 10 27 1 22 11 13 1 23 11 28 1 24 11 29 1 25 12 14 1 26 12 30 1 27 13 19 1 28 13 23 1 29 13 31 1 30 14 15 1 31 14 32 1 32 14 33 1 33 15 34 1 34 15 35 1 35 17 21 2 36 17 22 1 37 18 21 1 38 18 36 1 39 18 37 1 40 19 24 1 41 19 25 1 42 20 38 1 43 20 39 1 44 20 40 1 45 21 41 1 46 22 42 1 47 22 43 1 48 23 44 1 49 23 45 1 50 23 46 1 51 25 47 1 52 25 48 1 53 25 49 1