@MOLECULE 11alpha-hydroxycephalotaxine 45 49 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4302 2.4250 0.1478 O.3 1 UNL1111111111 -0.5362 2 O 3.3117 2.3710 0.1845 O.2 1 UNL1111111111 -0.2589 3 O 0.6873 0.9561 -2.0852 O.3 1 UNL1111111111 -0.5843 4 O -4.3369 0.4212 1.4955 O.3 1 UNL1111111111 -0.3454 5 O -4.7551 -0.0873 -0.7707 O.3 1 UNL1111111111 -0.3442 6 N 1.1070 -1.8799 -0.3877 N.3 1 UNL1111111111 -0.4328 7 C 1.6347 -0.8836 0.5638 C.3 1 UNL1111111111 0.2419 8 C 0.5452 0.1341 1.0652 C.3 1 UNL1111111111 -0.2116 9 C 2.1465 -1.7557 1.7523 C.3 1 UNL1111111111 -0.2922 10 C 1.1757 1.5653 0.9388 C.3 1 UNL1111111111 0.1433 11 C 1.9489 -3.1067 -0.2739 C.3 1 UNL1111111111 -0.1057 12 C 2.6272 -3.0633 1.1109 C.3 1 UNL1111111111 -0.2828 13 C 2.7814 -0.0153 0.0894 C.2 1 UNL1111111111 -0.4474 14 C 0.9939 -1.4545 -1.7914 C.3 1 UNL1111111111 -0.1639 15 C -0.8081 0.0727 0.4260 C.ar 1 UNL1111111111 0.0665 16 C 2.5536 1.2804 0.3510 C.2 1 UNL1111111111 0.1530 17 C 0.0094 -0.2856 -1.9783 C.3 1 UNL1111111111 0.1604 18 C -1.0584 -0.1671 -0.9238 C.ar 1 UNL1111111111 -0.0533 19 C -1.8812 0.3000 1.3298 C.ar 1 UNL1111111111 -0.2102 20 C -2.3817 -0.2643 -1.4222 C.ar 1 UNL1111111111 -0.1852 21 C -3.1516 0.2336 0.8270 C.ar 1 UNL1111111111 0.1437 22 C -3.4010 -0.0631 -0.5321 C.ar 1 UNL1111111111 0.1167 23 C 4.6654 2.1310 -0.1997 C.3 1 UNL1111111111 -0.2168 24 C -5.3664 0.2467 0.4954 C.3 1 UNL1111111111 0.1589 25 H 0.4130 -0.0663 2.1613 H 1 UNL1111111111 0.1610 26 H 1.3268 -1.9584 2.4639 H 1 UNL1111111111 0.1519 27 H 2.9406 -1.2444 2.3117 H 1 UNL1111111111 0.1436 28 H 1.2333 2.0955 1.9135 H 1 UNL1111111111 0.1604 29 H 2.7089 -3.1862 -1.0754 H 1 UNL1111111111 0.1129 30 H 1.2673 -3.9767 -0.3699 H 1 UNL1111111111 0.1444 31 H 3.7243 -3.0851 1.0166 H 1 UNL1111111111 0.1352 32 H 2.3497 -3.9365 1.7218 H 1 UNL1111111111 0.1421 33 H 3.6543 -0.4724 -0.3236 H 1 UNL1111111111 0.1657 34 H 0.6073 -2.3306 -2.3671 H 1 UNL1111111111 0.1544 35 H 1.9747 -1.1842 -2.2478 H 1 UNL1111111111 0.1264 36 H -0.4514 -0.3567 -3.0013 H 1 UNL1111111111 0.1464 37 H -1.6959 0.5284 2.3752 H 1 UNL1111111111 0.1756 38 H 0.2987 2.0369 -0.7642 H 1 UNL1111111111 0.3555 39 H -2.5776 -0.4765 -2.4698 H 1 UNL1111111111 0.1729 40 H 1.6077 0.9087 -1.7423 H 1 UNL1111111111 0.3338 41 H 4.7105 1.7332 -1.2155 H 1 UNL1111111111 0.1337 42 H 5.1623 1.4629 0.5101 H 1 UNL1111111111 0.1363 43 H 5.1023 3.1384 -0.1555 H 1 UNL1111111111 0.1574 44 H -5.9899 -0.6045 0.8016 H 1 UNL1111111111 0.1374 45 H -5.8841 1.2090 0.3761 H 1 UNL1111111111 0.1397 @BOND 1 1 10 1 2 1 38 1 3 2 16 1 4 2 23 1 5 3 17 1 6 3 40 1 7 4 21 1 8 4 24 1 9 5 22 1 10 5 24 1 11 6 7 1 12 6 11 1 13 6 14 1 14 7 8 1 15 7 9 1 16 7 13 1 17 8 10 1 18 8 15 1 19 8 25 1 20 9 12 1 21 9 26 1 22 9 27 1 23 10 16 1 24 10 28 1 25 11 12 1 26 11 29 1 27 11 30 1 28 12 31 1 29 12 32 1 30 13 16 2 31 13 33 1 32 14 17 1 33 14 34 1 34 14 35 1 35 15 18 ar 36 15 19 ar 37 17 18 1 38 17 36 1 39 18 20 ar 40 19 21 ar 41 19 37 1 42 20 22 ar 43 20 39 1 44 21 22 ar 45 23 41 1 46 23 42 1 47 23 43 1 48 24 44 1 49 24 45 1