@MOLECULE fludrocortisone 56 59 0 0 0 SMALL USER_CHARGES @ATOM 1 F -1.3259 0.1918 1.4525 F 1 UNL111111111111111 -0.2350 2 O 3.1816 0.5682 1.8350 O.3 1 UNL111111111111111 -0.5479 3 O -0.3501 -2.0643 -1.0566 O.3 1 UNL111111111111111 -0.5673 4 O 4.2427 -1.6335 -0.1569 O.2 1 UNL111111111111111 -0.4520 5 O 6.7699 -0.7372 -0.0799 O.3 1 UNL111111111111111 -0.5224 6 O -6.4143 -0.1110 1.1720 O.2 1 UNL111111111111111 -0.4646 7 C 1.8048 -0.0929 -0.1198 C.3 1 UNL111111111111111 0.0406 8 C 0.9429 1.1874 0.0541 C.3 1 UNL111111111111111 -0.1390 9 C -0.4438 1.0057 -0.5561 C.3 1 UNL111111111111111 -0.1626 10 C -1.1584 -0.1753 0.1542 C.3 1 UNL111111111111111 0.1953 11 C 3.1665 0.4262 0.4289 C.3 1 UNL111111111111111 0.1688 12 C 1.1600 -1.2276 0.6729 C.3 1 UNL111111111111111 -0.3614 13 C -2.5938 -0.4171 -0.4243 C.3 1 UNL111111111111111 0.0154 14 C -0.2902 -1.4769 0.2246 C.3 1 UNL111111111111111 0.1222 15 C 1.8414 2.2994 -0.5161 C.3 1 UNL111111111111111 -0.2680 16 C 3.2737 1.8740 -0.1099 C.3 1 UNL111111111111111 -0.2936 17 C -1.2708 2.2877 -0.4038 C.3 1 UNL111111111111111 -0.2688 18 C 2.0009 -0.4902 -1.5874 C.3 1 UNL111111111111111 -0.4724 19 C -3.3629 0.8861 -0.3579 C.2 1 UNL111111111111111 0.1130 20 C -2.6895 2.0910 -0.9425 C.3 1 UNL111111111111111 -0.3016 21 C -3.2905 -1.5300 0.3969 C.3 1 UNL111111111111111 -0.2730 22 C -2.5541 -0.8400 -1.9013 C.3 1 UNL111111111111111 -0.4431 23 C 4.3715 -0.4721 0.1431 C.2 1 UNL111111111111111 0.3833 24 C -4.8026 -1.5466 0.1794 C.3 1 UNL111111111111111 -0.3797 25 C -4.6171 0.9711 0.1080 C.2 1 UNL111111111111111 -0.3661 26 C -5.3761 -0.2028 0.5617 C.2 1 UNL111111111111111 0.4947 27 C 5.7434 0.1156 0.3679 C.3 1 UNL111111111111111 -0.1037 28 H 0.8316 1.3927 1.1522 H 1 UNL111111111111111 0.1642 29 H -0.3514 0.7545 -1.6405 H 1 UNL111111111111111 0.1598 30 H 1.1592 -1.0019 1.7591 H 1 UNL111111111111111 0.1549 31 H 1.7547 -2.1584 0.5623 H 1 UNL111111111111111 0.1683 32 H -0.7722 -2.2196 0.9091 H 1 UNL111111111111111 0.1387 33 H 1.5800 3.2852 -0.1027 H 1 UNL111111111111111 0.1421 34 H 1.7405 2.3811 -1.6096 H 1 UNL111111111111111 0.1400 35 H 3.9654 1.9466 -0.9612 H 1 UNL111111111111111 0.1438 36 H 3.6684 2.5348 0.6859 H 1 UNL111111111111111 0.1684 37 H -0.7763 3.1186 -0.9426 H 1 UNL111111111111111 0.1402 38 H -1.3096 2.6090 0.6563 H 1 UNL111111111111111 0.1583 39 H 2.5075 -1.4599 -1.6791 H 1 UNL111111111111111 0.1636 40 H 1.0433 -0.5651 -2.1206 H 1 UNL111111111111111 0.1666 41 H 2.6038 0.2398 -2.1382 H 1 UNL111111111111111 0.1506 42 H -2.6630 1.9800 -2.0497 H 1 UNL111111111111111 0.1579 43 H -3.2832 3.0104 -0.7570 H 1 UNL111111111111111 0.1570 44 H -3.0975 -1.4100 1.4812 H 1 UNL111111111111111 0.1557 45 H -2.8603 -2.5136 0.1210 H 1 UNL111111111111111 0.1542 46 H -3.5388 -0.7328 -2.3706 H 1 UNL111111111111111 0.1481 47 H -1.8377 -0.2538 -2.4846 H 1 UNL111111111111111 0.1472 48 H -2.2578 -1.8936 -2.0122 H 1 UNL111111111111111 0.1753 49 H 2.7423 -0.1870 2.2817 H 1 UNL111111111111111 0.3250 50 H -5.2762 -2.3530 0.7743 H 1 UNL111111111111111 0.1709 51 H -5.0560 -1.7678 -0.8761 H 1 UNL111111111111111 0.1675 52 H 0.4951 -2.5058 -1.2822 H 1 UNL111111111111111 0.3292 53 H -5.1584 1.9139 0.1705 H 1 UNL111111111111111 0.1782 54 H 5.9071 0.3048 1.4519 H 1 UNL111111111111111 0.1672 55 H 5.9087 1.0589 -0.1877 H 1 UNL111111111111111 0.1623 56 H 6.4414 -1.6658 -0.1458 H 1 UNL111111111111111 0.3334 @BOND 1 47 22 1 2 46 22 1 3 41 18 1 4 40 18 1 5 42 20 1 6 48 22 1 7 22 13 1 8 39 18 1 9 29 9 1 10 34 15 1 11 18 7 1 12 52 3 1 13 3 14 1 14 35 16 1 15 37 17 1 16 20 43 1 17 20 17 1 18 20 19 1 19 51 24 1 20 9 17 1 21 9 8 1 22 9 10 1 23 15 16 1 24 15 33 1 25 15 8 1 26 13 19 1 27 13 10 1 28 13 21 1 29 17 38 1 30 19 25 2 31 55 27 1 32 4 23 2 33 56 5 1 34 7 8 1 35 7 11 1 36 7 12 1 37 16 11 1 38 16 36 1 39 5 27 1 40 8 28 1 41 25 53 1 42 25 26 1 43 45 21 1 44 23 27 1 45 23 11 1 46 10 14 1 47 10 1 1 48 24 21 1 49 24 26 1 50 24 50 1 51 14 12 1 52 14 32 1 53 27 54 1 54 21 44 1 55 11 2 1 56 26 6 2 57 31 12 1 58 12 30 1 59 2 49 1