@MOLECULE 6-chloro-17-acetoxy-16a-methylpregna-4,6-diene-3,20-dione 60 63 0 0 0 SMALL GASTEIGER @ATOM 1 CL -3.6818 -2.9878 -0.0104 Cl 1 UNL1111111111 -0.0869 2 O 3.0888 0.1295 -1.1853 O.3 1 UNL1111111111 -0.4415 3 O 4.7472 0.3191 1.8815 O.2 1 UNL1111111111 -0.4505 4 O -6.5018 1.0461 -1.3279 O.2 1 UNL1111111111 -0.4488 5 O 5.3260 -0.0429 -1.3176 O.2 1 UNL1111111111 -0.5005 6 C 1.6826 0.5259 0.6542 C.3 1 UNL1111111111 0.0557 7 C 0.8037 -0.7022 0.2954 C.3 1 UNL1111111111 -0.1329 8 C -0.6286 -0.4846 0.7768 C.3 1 UNL1111111111 -0.1367 9 C 3.0869 -0.0174 0.2274 C.3 1 UNL1111111111 0.1233 10 C -1.1965 0.7448 0.0157 C.3 1 UNL1111111111 -0.1322 11 C 1.5884 -1.9033 0.8403 C.3 1 UNL1111111111 -0.2951 12 C 3.0808 -1.5193 0.6485 C.3 1 UNL1111111111 -0.1118 13 C 1.1450 1.7290 -0.1263 C.3 1 UNL1111111111 -0.2860 14 C -0.3208 1.9837 0.2743 C.3 1 UNL1111111111 -0.2722 15 C -2.6944 0.9555 0.3773 C.3 1 UNL1111111111 0.0491 16 C 1.7396 0.8454 2.1517 C.3 1 UNL1111111111 -0.4701 17 C -1.4778 -1.6857 0.5384 C.2 1 UNL1111111111 -0.1389 18 C -3.4569 -0.2949 -0.0462 C.2 1 UNL1111111111 0.0495 19 C 4.2074 0.7715 0.9052 C.2 1 UNL1111111111 0.4724 20 C -3.2254 2.1845 -0.3954 C.3 1 UNL1111111111 -0.2763 21 C 3.7864 -2.4359 -0.3399 C.3 1 UNL1111111111 -0.4552 22 C -2.9059 1.1515 1.8840 C.3 1 UNL1111111111 -0.4548 23 C -2.7592 -1.5509 0.1836 C.2 1 UNL1111111111 -0.0390 24 C -4.7470 2.2951 -0.3430 C.3 1 UNL1111111111 -0.3794 25 C -4.6806 -0.2363 -0.5932 C.2 1 UNL1111111111 -0.3013 26 C 4.5396 2.1284 0.3726 C.3 1 UNL1111111111 -0.5403 27 C -5.4074 1.0263 -0.8160 C.2 1 UNL1111111111 0.4806 28 C 4.2594 0.0293 -1.8685 C.2 1 UNL1111111111 0.6288 29 C 3.9769 0.0574 -3.3300 C.3 1 UNL1111111111 -0.5113 30 H 0.7822 -0.8019 -0.8204 H 1 UNL1111111111 0.1554 31 H -0.6269 -0.2781 1.8794 H 1 UNL1111111111 0.1668 32 H -1.1511 0.5224 -1.0826 H 1 UNL1111111111 0.1485 33 H 1.3630 -2.0884 1.9027 H 1 UNL1111111111 0.1433 34 H 1.3479 -2.8322 0.3008 H 1 UNL1111111111 0.1455 35 H 3.6070 -1.6072 1.6364 H 1 UNL1111111111 0.1711 36 H 1.2151 1.5404 -1.2149 H 1 UNL1111111111 0.1528 37 H 1.7536 2.6301 0.0622 H 1 UNL1111111111 0.1400 38 H -0.3763 2.2809 1.3382 H 1 UNL1111111111 0.1436 39 H -0.7066 2.8495 -0.2922 H 1 UNL1111111111 0.1372 40 H 2.3152 1.7570 2.3495 H 1 UNL1111111111 0.1513 41 H 0.7432 1.0027 2.5762 H 1 UNL1111111111 0.1542 42 H 2.2040 0.0334 2.7270 H 1 UNL1111111111 0.1656 43 H -0.9934 -2.6518 0.6810 H 1 UNL1111111111 0.1739 44 H -2.8937 2.1324 -1.4519 H 1 UNL1111111111 0.1489 45 H -2.7772 3.1088 0.0193 H 1 UNL1111111111 0.1470 46 H 3.3406 -2.3925 -1.3397 H 1 UNL1111111111 0.1438 47 H 4.8524 -2.1790 -0.4271 H 1 UNL1111111111 0.1682 48 H 3.7420 -3.4803 -0.0074 H 1 UNL1111111111 0.1500 49 H -2.3443 2.0120 2.2609 H 1 UNL1111111111 0.1499 50 H -3.9643 1.3184 2.1189 H 1 UNL1111111111 0.1565 51 H -2.5950 0.2711 2.4597 H 1 UNL1111111111 0.1534 52 H -5.1002 3.1533 -0.9513 H 1 UNL1111111111 0.1731 53 H -5.0932 2.5105 0.6898 H 1 UNL1111111111 0.1720 54 H -5.2362 -1.1198 -0.9173 H 1 UNL1111111111 0.1928 55 H 4.3282 2.9067 1.1189 H 1 UNL1111111111 0.1764 56 H 5.6213 2.1846 0.1572 H 1 UNL1111111111 0.1963 57 H 4.0074 2.3822 -0.5514 H 1 UNL1111111111 0.1651 58 H 3.3964 -0.8250 -3.6419 H 1 UNL1111111111 0.1874 59 H 4.9115 0.0644 -3.9110 H 1 UNL1111111111 0.1877 60 H 3.3876 0.9406 -3.6182 H 1 UNL1111111111 0.1847 @BOND 1 1 23 1 2 2 9 1 3 2 28 1 4 3 19 2 5 4 27 2 6 5 28 2 7 6 7 1 8 6 9 1 9 6 13 1 10 6 16 1 11 7 8 1 12 7 11 1 13 7 30 1 14 8 10 1 15 8 17 1 16 8 31 1 17 9 12 1 18 9 19 1 19 10 14 1 20 10 15 1 21 10 32 1 22 11 12 1 23 11 33 1 24 11 34 1 25 12 21 1 26 12 35 1 27 13 14 1 28 13 36 1 29 13 37 1 30 14 38 1 31 14 39 1 32 15 18 1 33 15 20 1 34 15 22 1 35 16 40 1 36 16 41 1 37 16 42 1 38 17 23 2 39 17 43 1 40 18 23 1 41 18 25 2 42 19 26 1 43 20 24 1 44 20 44 1 45 20 45 1 46 21 46 1 47 21 47 1 48 21 48 1 49 22 49 1 50 22 50 1 51 22 51 1 52 24 27 1 53 24 52 1 54 24 53 1 55 25 27 1 56 25 54 1 57 26 55 1 58 26 56 1 59 26 57 1 60 28 29 1 61 29 58 1 62 29 59 1 63 29 60 1