@MOLECULE 6.alpha.-chloro-17-acetoxyprogesterone 59 62 0 0 0 SMALL GASTEIGER @ATOM 1 CL -3.9530 -2.6694 -0.9278 Cl 1 UNL1111111111 -0.1744 2 O 3.1104 0.6715 -1.0013 O.3 1 UNL1111111111 -0.4563 3 O 4.7997 -0.9323 1.6341 O.2 1 UNL1111111111 -0.4463 4 O -5.4967 2.1724 -1.4053 O.2 1 UNL1111111111 -0.4436 5 O 5.1031 0.0335 -1.8299 O.2 1 UNL1111111111 -0.5033 6 C 1.7933 -0.0394 0.8088 C.3 1 UNL1111111111 0.0618 7 C 0.8281 -0.8158 -0.1316 C.3 1 UNL1111111111 -0.1382 8 C -0.5756 -0.8727 0.4694 C.3 1 UNL1111111111 -0.1223 9 C -1.0914 0.5920 0.5581 C.3 1 UNL1111111111 -0.1311 10 C 3.1489 -0.2765 0.0621 C.3 1 UNL1111111111 0.1467 11 C 1.3100 1.4102 0.8842 C.3 1 UNL1111111111 -0.2909 12 C -2.5560 0.6316 1.0853 C.3 1 UNL1111111111 0.0445 13 C 1.5674 -2.1328 -0.4086 C.3 1 UNL1111111111 -0.2726 14 C -0.1364 1.4485 1.4099 C.3 1 UNL1111111111 -0.2727 15 C 3.0555 -1.7178 -0.4819 C.3 1 UNL1111111111 -0.3072 16 C -1.5012 -1.7319 -0.4064 C.3 1 UNL1111111111 -0.3121 17 C 1.9131 -0.6367 2.2138 C.3 1 UNL1111111111 -0.4673 18 C -3.3623 -0.2207 0.1182 C.2 1 UNL1111111111 0.0312 19 C -2.9297 -1.6523 0.1264 C.3 1 UNL1111111111 -0.0340 20 C -3.1067 2.0774 1.1367 C.3 1 UNL1111111111 -0.2775 21 C -2.6748 0.0679 2.5115 C.3 1 UNL1111111111 -0.4632 22 C 4.3694 -0.0380 0.9506 C.2 1 UNL1111111111 0.4640 23 C -3.4723 2.6248 -0.2396 C.3 1 UNL1111111111 -0.3841 24 C -4.2694 0.2814 -0.7261 C.2 1 UNL1111111111 -0.3146 25 C -4.5275 1.7290 -0.8410 C.2 1 UNL1111111111 0.4831 26 C 4.9671 1.3315 0.9670 C.3 1 UNL1111111111 -0.5460 27 C 4.1077 0.7017 -1.9220 C.2 1 UNL1111111111 0.6307 28 C 3.7554 1.6779 -2.9909 C.3 1 UNL1111111111 -0.5106 29 H 0.7662 -0.2556 -1.1019 H 1 UNL1111111111 0.1512 30 H -0.5328 -1.3177 1.4903 H 1 UNL1111111111 0.1463 31 H -1.1015 1.0154 -0.4772 H 1 UNL1111111111 0.1449 32 H 1.3605 1.8889 -0.1130 H 1 UNL1111111111 0.1526 33 H 1.9662 2.0104 1.5391 H 1 UNL1111111111 0.1400 34 H 1.2315 -2.6056 -1.3434 H 1 UNL1111111111 0.1405 35 H 1.3988 -2.8685 0.3946 H 1 UNL1111111111 0.1447 36 H -0.1607 1.1116 2.4627 H 1 UNL1111111111 0.1439 37 H -0.4810 2.5003 1.4202 H 1 UNL1111111111 0.1373 38 H 3.6902 -2.4021 0.1137 H 1 UNL1111111111 0.1753 39 H 3.4425 -1.7794 -1.5121 H 1 UNL1111111111 0.1612 40 H -1.1423 -2.7804 -0.4189 H 1 UNL1111111111 0.1630 41 H -1.4581 -1.3896 -1.4607 H 1 UNL1111111111 0.1653 42 H 0.9386 -0.7360 2.7027 H 1 UNL1111111111 0.1515 43 H 2.3700 -1.6363 2.1971 H 1 UNL1111111111 0.1688 44 H 2.5372 -0.0122 2.8642 H 1 UNL1111111111 0.1523 45 H -3.0345 -2.1197 1.1313 H 1 UNL1111111111 0.1662 46 H -2.3797 2.7468 1.6328 H 1 UNL1111111111 0.1475 47 H -4.0089 2.1009 1.7846 H 1 UNL1111111111 0.1537 48 H -3.7233 -0.1155 2.7783 H 1 UNL1111111111 0.1567 49 H -2.1315 -0.8734 2.6418 H 1 UNL1111111111 0.1494 50 H -2.2683 0.7691 3.2503 H 1 UNL1111111111 0.1537 51 H -2.5912 2.6664 -0.9095 H 1 UNL1111111111 0.1678 52 H -3.8400 3.6677 -0.1677 H 1 UNL1111111111 0.1721 53 H -4.8663 -0.3274 -1.4093 H 1 UNL1111111111 0.1957 54 H 4.2447 2.1189 0.7227 H 1 UNL1111111111 0.1699 55 H 5.4118 1.5597 1.9475 H 1 UNL1111111111 0.1812 56 H 5.7891 1.3881 0.2313 H 1 UNL1111111111 0.1947 57 H 2.8999 2.3163 -2.7222 H 1 UNL1111111111 0.1837 58 H 3.4922 1.1477 -3.9214 H 1 UNL1111111111 0.1887 59 H 4.6122 2.3312 -3.2205 H 1 UNL1111111111 0.1865 @BOND 1 1 19 1 2 2 10 1 3 2 27 1 4 3 22 2 5 4 25 2 6 5 27 2 7 6 7 1 8 6 10 1 9 6 11 1 10 6 17 1 11 7 8 1 12 7 13 1 13 7 29 1 14 8 9 1 15 8 16 1 16 8 30 1 17 9 12 1 18 9 14 1 19 9 31 1 20 10 15 1 21 10 22 1 22 11 14 1 23 11 32 1 24 11 33 1 25 12 18 1 26 12 20 1 27 12 21 1 28 13 15 1 29 13 34 1 30 13 35 1 31 14 36 1 32 14 37 1 33 15 38 1 34 15 39 1 35 16 19 1 36 16 40 1 37 16 41 1 38 17 42 1 39 17 43 1 40 17 44 1 41 18 19 1 42 18 24 2 43 19 45 1 44 20 23 1 45 20 46 1 46 20 47 1 47 21 48 1 48 21 49 1 49 21 50 1 50 22 26 1 51 23 25 1 52 23 51 1 53 23 52 1 54 24 25 1 55 24 53 1 56 26 54 1 57 26 55 1 58 26 56 1 59 27 28 1 60 28 57 1 61 28 58 1 62 28 59 1