@MOLECULE (+)-simvastatin 68 70 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9015 -0.7314 -0.2724 O.3 1 UNL1111111111 -0.4160 2 O 3.6384 1.2433 -0.5217 O.3 1 UNL1111111111 -0.4120 3 O 4.8288 -2.3861 0.6055 O.3 1 UNL1111111111 -0.5662 4 O -0.4274 -1.9327 -1.4622 O.2 1 UNL1111111111 -0.5429 5 O 5.4482 1.7396 -1.6472 O.2 1 UNL1111111111 -0.4580 6 C -1.8557 1.6191 -0.5513 C.3 1 UNL1111111111 -0.1565 7 C -0.6715 1.6319 0.4459 C.3 1 UNL1111111111 -0.1100 8 C -1.9514 0.2732 -1.2950 C.3 1 UNL1111111111 0.1172 9 C -0.5652 3.0185 1.1282 C.3 1 UNL1111111111 -0.1016 10 C -3.1340 1.9288 0.1788 C.2 1 UNL1111111111 -0.0080 11 C 0.6524 1.2265 -0.2170 C.3 1 UNL1111111111 -0.2895 12 C -3.2656 0.1155 -2.0586 C.3 1 UNL1111111111 -0.3252 13 C -4.5127 0.3210 -1.1821 C.3 1 UNL1111111111 -0.0630 14 C -4.3092 1.3579 -0.1248 C.2 1 UNL1111111111 -0.1921 15 C 1.7540 1.0037 0.8264 C.3 1 UNL1111111111 -0.2997 16 C -1.8946 3.4199 1.6935 C.2 1 UNL1111111111 -0.1517 17 C -3.0542 2.9221 1.2474 C.2 1 UNL1111111111 -0.1864 18 C -0.0895 4.1325 0.1857 C.3 1 UNL1111111111 -0.4412 19 C 2.9243 0.2354 0.2079 C.3 1 UNL1111111111 0.1364 20 C -4.9375 -0.9923 -0.5073 C.3 1 UNL1111111111 -0.4493 21 C 3.8532 -0.3726 1.2592 C.3 1 UNL1111111111 -0.3717 22 C -1.0652 -1.7743 -0.4488 C.2 1 UNL1111111111 0.5834 23 C 5.0911 -0.9927 0.6001 C.3 1 UNL1111111111 0.1865 24 C -1.0201 -2.6692 0.7810 C.3 1 UNL1111111111 0.0374 25 C 5.2923 -0.5257 -0.8506 C.3 1 UNL1111111111 -0.4633 26 C 4.8397 0.8919 -1.0489 C.2 1 UNL1111111111 0.6054 27 C -1.5159 -4.0663 0.3544 C.3 1 UNL1111111111 -0.2653 28 C -1.8468 -2.0979 1.9317 C.3 1 UNL1111111111 -0.4489 29 C 0.4574 -2.7507 1.1957 C.3 1 UNL1111111111 -0.4557 30 C -2.9488 -4.0632 -0.1725 C.3 1 UNL1111111111 -0.4435 31 H -1.6912 2.4192 -1.3198 H 1 UNL1111111111 0.1603 32 H -0.9104 0.8831 1.2452 H 1 UNL1111111111 0.1476 33 H -1.0887 0.1457 -1.9944 H 1 UNL1111111111 0.1496 34 H 0.1736 2.9278 1.9654 H 1 UNL1111111111 0.1372 35 H 0.9765 1.9861 -0.9544 H 1 UNL1111111111 0.1584 36 H 0.5137 0.2962 -0.8052 H 1 UNL1111111111 0.1537 37 H -3.2777 0.8447 -2.8935 H 1 UNL1111111111 0.1493 38 H -3.2971 -0.8860 -2.5298 H 1 UNL1111111111 0.1558 39 H -5.3495 0.6565 -1.8512 H 1 UNL1111111111 0.1358 40 H -5.2160 1.6155 0.4212 H 1 UNL1111111111 0.1439 41 H 2.1121 1.9792 1.2155 H 1 UNL1111111111 0.1630 42 H 1.3579 0.4511 1.6985 H 1 UNL1111111111 0.1464 43 H -1.8555 4.1633 2.4854 H 1 UNL1111111111 0.1398 44 H -4.0049 3.2405 1.6755 H 1 UNL1111111111 0.1465 45 H -0.7510 4.2365 -0.6813 H 1 UNL1111111111 0.1484 46 H 0.9232 3.9397 -0.1868 H 1 UNL1111111111 0.1541 47 H -0.0693 5.1009 0.6980 H 1 UNL1111111111 0.1420 48 H 2.5823 -0.5320 -0.5246 H 1 UNL1111111111 0.1460 49 H -4.1405 -1.3599 0.1535 H 1 UNL1111111111 0.1611 50 H -5.8356 -0.8563 0.1029 H 1 UNL1111111111 0.1408 51 H -5.1476 -1.7725 -1.2446 H 1 UNL1111111111 0.1397 52 H 3.3170 -1.1583 1.8350 H 1 UNL1111111111 0.1825 53 H 4.1553 0.3939 1.9969 H 1 UNL1111111111 0.1617 54 H 6.0053 -0.8140 1.2092 H 1 UNL1111111111 0.1194 55 H 6.3517 -0.6285 -1.1600 H 1 UNL1111111111 0.1809 56 H 4.7185 -1.1894 -1.5385 H 1 UNL1111111111 0.1989 57 H -0.8372 -4.4684 -0.4275 H 1 UNL1111111111 0.1546 58 H -1.4326 -4.7589 1.2136 H 1 UNL1111111111 0.1434 59 H -2.8997 -1.9638 1.6513 H 1 UNL1111111111 0.1578 60 H -1.4829 -1.1089 2.2389 H 1 UNL1111111111 0.1555 61 H -1.8186 -2.7551 2.8072 H 1 UNL1111111111 0.1496 62 H 0.8479 -1.7715 1.4952 H 1 UNL1111111111 0.1493 63 H 1.0879 -3.1137 0.3714 H 1 UNL1111111111 0.1660 64 H 0.5950 -3.4341 2.0402 H 1 UNL1111111111 0.1525 65 H 5.5752 -2.8915 0.2331 H 1 UNL1111111111 0.3177 66 H -3.2352 -5.0565 -0.5388 H 1 UNL1111111111 0.1453 67 H -3.6687 -3.7818 0.6041 H 1 UNL1111111111 0.1458 68 H -3.0712 -3.3623 -1.0083 H 1 UNL1111111111 0.1511 @BOND 1 1 8 1 2 1 22 1 3 2 19 1 4 2 26 1 5 3 23 1 6 3 65 1 7 4 22 2 8 5 26 2 9 6 7 1 10 6 8 1 11 6 10 1 12 6 31 1 13 7 9 1 14 7 11 1 15 7 32 1 16 8 12 1 17 8 33 1 18 9 16 1 19 9 18 1 20 9 34 1 21 10 14 2 22 10 17 1 23 11 15 1 24 11 35 1 25 11 36 1 26 12 13 1 27 12 37 1 28 12 38 1 29 13 14 1 30 13 20 1 31 13 39 1 32 14 40 1 33 15 19 1 34 15 41 1 35 15 42 1 36 16 17 2 37 16 43 1 38 17 44 1 39 18 45 1 40 18 46 1 41 18 47 1 42 19 21 1 43 19 48 1 44 20 49 1 45 20 50 1 46 20 51 1 47 21 23 1 48 21 52 1 49 21 53 1 50 22 24 1 51 23 25 1 52 23 54 1 53 24 27 1 54 24 28 1 55 24 29 1 56 25 26 1 57 25 55 1 58 25 56 1 59 27 30 1 60 27 57 1 61 27 58 1 62 28 59 1 63 28 60 1 64 28 61 1 65 29 62 1 66 29 63 1 67 29 64 1 68 30 66 1 69 30 67 1 70 30 68 1