@MOLECULE chloromethyl (11beta,17alpha)-11,17-dihydroxy-3-oxoandrosta-1,4-diene-17-carboxylate 54 57 0 0 0 SMALL GASTEIGER @ATOM 1 CL -4.5934 -2.4912 -0.4705 Cl 1 UNL1111111111 -0.1851 2 O -2.3251 0.9066 -1.9255 O.3 1 UNL1111111111 -0.5318 3 O 0.4743 -1.5409 1.5339 O.3 1 UNL1111111111 -0.5798 4 O -3.9085 -0.3286 0.6806 O.3 1 UNL1111111111 -0.4160 5 O -4.9198 1.0024 -0.8211 O.2 1 UNL1111111111 -0.4729 6 O 6.4467 -1.0366 -1.6450 O.2 1 UNL1111111111 -0.4576 7 C -1.3031 0.5427 0.1757 C.3 1 UNL1111111111 0.0853 8 C -0.2109 1.5858 -0.1998 C.3 1 UNL1111111111 -0.1449 9 C 1.1145 1.2655 0.4886 C.3 1 UNL1111111111 -0.1152 10 C 1.5849 -0.1164 -0.0343 C.3 1 UNL1111111111 -0.1516 11 C -2.5156 1.1899 -0.5574 C.3 1 UNL1111111111 0.2013 12 C -0.8791 -0.8172 -0.3671 C.3 1 UNL1111111111 -0.3653 13 C 0.5118 -1.2154 0.1569 C.3 1 UNL1111111111 0.1617 14 C -0.8929 2.9342 0.0937 C.3 1 UNL1111111111 -0.2650 15 C 2.9663 -0.5040 0.5769 C.3 1 UNL1111111111 0.0272 16 C -2.3787 2.7070 -0.2852 C.3 1 UNL1111111111 -0.3172 17 C 2.1562 2.3442 0.1575 C.3 1 UNL1111111111 -0.2781 18 C -1.5822 0.4865 1.6802 C.3 1 UNL1111111111 -0.4704 19 C 3.5257 1.9733 0.7386 C.3 1 UNL1111111111 -0.2993 20 C 3.9246 0.6201 0.2393 C.2 1 UNL1111111111 0.0969 21 C -3.9124 0.6584 -0.2683 C.2 1 UNL1111111111 0.5516 22 C 2.9512 -0.6782 2.1057 C.3 1 UNL1111111111 -0.4362 23 C 3.4017 -1.8266 0.0000 C.2 1 UNL1111111111 -0.0867 24 C 5.0445 0.4385 -0.4733 C.2 1 UNL1111111111 -0.3590 25 C 4.5165 -2.0000 -0.7141 C.2 1 UNL1111111111 -0.3007 26 C 5.4313 -0.8779 -1.0035 C.2 1 UNL1111111111 0.4798 27 C -4.9921 -1.2052 0.7074 C.3 1 UNL1111111111 0.0604 28 H -0.0434 1.5284 -1.3098 H 1 UNL1111111111 0.1618 29 H 0.9779 1.2123 1.5935 H 1 UNL1111111111 0.1519 30 H 1.7413 -0.0239 -1.1424 H 1 UNL1111111111 0.1525 31 H -0.8662 -0.8006 -1.4784 H 1 UNL1111111111 0.1809 32 H -1.6256 -1.5934 -0.1090 H 1 UNL1111111111 0.1626 33 H 0.8385 -2.1571 -0.3518 H 1 UNL1111111111 0.1228 34 H -0.4468 3.7518 -0.4920 H 1 UNL1111111111 0.1416 35 H -0.7890 3.2140 1.1538 H 1 UNL1111111111 0.1417 36 H -3.0525 3.0422 0.5184 H 1 UNL1111111111 0.1525 37 H -2.6548 3.2890 -1.1807 H 1 UNL1111111111 0.1577 38 H 1.8289 3.3219 0.5559 H 1 UNL1111111111 0.1393 39 H 2.2375 2.4750 -0.9392 H 1 UNL1111111111 0.1479 40 H -2.1770 -0.3924 1.9565 H 1 UNL1111111111 0.1563 41 H -0.6456 0.4275 2.2554 H 1 UNL1111111111 0.1706 42 H -2.1192 1.3692 2.0406 H 1 UNL1111111111 0.1482 43 H 3.4898 1.9772 1.8481 H 1 UNL1111111111 0.1583 44 H 4.2733 2.7461 0.4687 H 1 UNL1111111111 0.1534 45 H 2.4659 -1.6211 2.3994 H 1 UNL1111111111 0.1741 46 H 3.9676 -0.6906 2.5141 H 1 UNL1111111111 0.1469 47 H 2.3873 0.1181 2.6014 H 1 UNL1111111111 0.1515 48 H 2.7403 -2.6636 0.2379 H 1 UNL1111111111 0.1590 49 H -2.9744 1.3894 -2.4869 H 1 UNL1111111111 0.3320 50 H -0.4282 -1.7844 1.8144 H 1 UNL1111111111 0.3211 51 H 5.7322 1.2483 -0.7098 H 1 UNL1111111111 0.1780 52 H 4.8234 -2.9653 -1.1130 H 1 UNL1111111111 0.1766 53 H -5.9492 -0.7522 0.4041 H 1 UNL1111111111 0.1675 54 H -4.9838 -1.6474 1.7161 H 1 UNL1111111111 0.1618 @BOND 1 1 27 1 2 2 11 1 3 2 49 1 4 3 13 1 5 3 50 1 6 4 21 1 7 4 27 1 8 5 21 2 9 6 26 2 10 7 8 1 11 7 11 1 12 7 12 1 13 7 18 1 14 8 9 1 15 8 14 1 16 8 28 1 17 9 10 1 18 9 17 1 19 9 29 1 20 10 13 1 21 10 15 1 22 10 30 1 23 11 16 1 24 11 21 1 25 12 13 1 26 12 31 1 27 12 32 1 28 13 33 1 29 14 16 1 30 14 34 1 31 14 35 1 32 15 20 1 33 15 22 1 34 15 23 1 35 16 36 1 36 16 37 1 37 17 19 1 38 17 38 1 39 17 39 1 40 18 40 1 41 18 41 1 42 18 42 1 43 19 20 1 44 19 43 1 45 19 44 1 46 20 24 2 47 22 45 1 48 22 46 1 49 22 47 1 50 23 25 2 51 23 48 1 52 24 26 1 53 24 51 1 54 25 26 1 55 25 52 1 56 27 53 1 57 27 54 1