@MOLECULE hydrocortisone-17-valerate 67 70 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7653 -0.3395 0.1867 O.3 1 UNL11111111 -0.4522 2 O 1.4642 -0.5345 2.5190 O.3 1 UNL11111111 -0.5629 3 O -2.1975 3.0132 -0.7871 O.2 1 UNL11111111 -0.4391 4 O -4.1104 3.4768 1.0233 O.3 1 UNL11111111 -0.5190 5 O 7.1142 -1.8762 -1.4180 O.2 1 UNL11111111 -0.4690 6 O -4.2200 -0.1327 -1.5142 O.2 1 UNL11111111 -0.4949 7 C -0.6467 0.6807 0.5623 C.3 1 UNL11111111 0.0710 8 C 0.3492 1.4103 -0.3727 C.3 1 UNL11111111 -0.1531 9 C 1.8120 1.2305 0.0530 C.3 1 UNL11111111 -0.1155 10 C 2.1995 -0.2507 0.1876 C.3 1 UNL11111111 -0.1968 11 C -1.9396 0.6908 -0.3298 C.3 1 UNL11111111 0.1542 12 C -0.2241 -0.7760 0.8121 C.3 1 UNL11111111 -0.3459 13 C 3.7075 -0.4497 0.5310 C.3 1 UNL11111111 0.0534 14 C 1.2566 -0.9506 1.1923 C.3 1 UNL11111111 0.1560 15 C 0.0107 0.9006 -1.7946 C.3 1 UNL11111111 -0.2645 16 C -1.4544 0.4254 -1.7615 C.3 1 UNL11111111 -0.3047 17 C 2.7145 1.9309 -0.9750 C.3 1 UNL11111111 -0.2716 18 C -0.8780 1.4250 1.8731 C.3 1 UNL11111111 -0.4710 19 C 4.5740 0.3943 -0.3837 C.2 1 UNL11111111 0.1098 20 C 4.1765 1.8287 -0.5448 C.3 1 UNL11111111 -0.3043 21 C 4.0315 -1.9539 0.3330 C.3 1 UNL11111111 -0.2800 22 C 4.0564 -0.0284 1.9667 C.3 1 UNL11111111 -0.4482 23 C -2.6512 2.0399 -0.2375 C.2 1 UNL11111111 0.3905 24 C 5.5322 -2.2352 0.3143 C.3 1 UNL11111111 -0.3798 25 C 5.6851 -0.0645 -0.9758 C.2 1 UNL11111111 -0.3777 26 C 6.1951 -1.4271 -0.7758 C.2 1 UNL11111111 0.4938 27 C -3.9185 2.1546 0.5797 C.3 1 UNL11111111 -0.1055 28 C -3.8768 -0.7033 -0.5132 C.2 1 UNL11111111 0.6063 29 C -4.5426 -1.8485 0.1838 C.3 1 UNL11111111 -0.3525 30 C -5.8918 -2.1397 -0.4786 C.3 1 UNL11111111 -0.2326 31 C -6.5951 -3.3245 0.1961 C.3 1 UNL11111111 -0.5294 32 C -7.8813 -3.6194 -0.4091 C.3 1 UNL11111111 0.1400 33 H 0.1228 2.5089 -0.3417 H 1 UNL11111111 0.1625 34 H 1.9510 1.7280 1.0446 H 1 UNL11111111 0.1366 35 H 2.0296 -0.7365 -0.8087 H 1 UNL11111111 0.1513 36 H -0.8509 -1.2125 1.6137 H 1 UNL11111111 0.1656 37 H -0.4326 -1.3875 -0.0871 H 1 UNL11111111 0.1563 38 H 1.5031 -2.0399 1.2669 H 1 UNL11111111 0.1361 39 H 0.1464 1.7075 -2.5349 H 1 UNL11111111 0.1492 40 H 0.6795 0.0804 -2.1007 H 1 UNL11111111 0.1407 41 H -1.5379 -0.6467 -2.0124 H 1 UNL11111111 0.1538 42 H -2.0759 0.9501 -2.5099 H 1 UNL11111111 0.1708 43 H 2.5856 1.4794 -1.9775 H 1 UNL11111111 0.1491 44 H 2.4187 2.9916 -1.0820 H 1 UNL11111111 0.1454 45 H 0.0397 1.5049 2.4692 H 1 UNL11111111 0.1446 46 H -1.6244 0.9140 2.4947 H 1 UNL11111111 0.1622 47 H -1.2238 2.4572 1.7202 H 1 UNL11111111 0.1634 48 H 4.8231 2.3527 -1.2784 H 1 UNL11111111 0.1551 49 H 4.3370 2.3634 0.4166 H 1 UNL11111111 0.1599 50 H 3.5534 -2.5455 1.1375 H 1 UNL11111111 0.1500 51 H 3.5849 -2.3130 -0.6156 H 1 UNL11111111 0.1430 52 H 3.6962 -0.7676 2.6972 H 1 UNL11111111 0.1729 53 H 3.5966 0.9274 2.2338 H 1 UNL11111111 0.1439 54 H 5.1384 0.0698 2.1075 H 1 UNL11111111 0.1460 55 H 5.7295 -3.3153 0.1668 H 1 UNL11111111 0.1699 56 H 5.9996 -1.9803 1.2873 H 1 UNL11111111 0.1706 57 H 1.2471 0.4143 2.6320 H 1 UNL11111111 0.3154 58 H 6.2952 0.5539 -1.6335 H 1 UNL11111111 0.1783 59 H -4.8008 1.8512 -0.0218 H 1 UNL11111111 0.1605 60 H -3.8826 1.5629 1.5144 H 1 UNL11111111 0.1671 61 H -4.6692 -1.6228 1.2647 H 1 UNL11111111 0.1814 62 H -3.8810 -2.7442 0.1516 H 1 UNL11111111 0.1795 63 H -3.8077 4.1152 0.3329 H 1 UNL11111111 0.3320 64 H -5.7514 -2.3426 -1.5609 H 1 UNL11111111 0.1588 65 H -6.5401 -1.2401 -0.4409 H 1 UNL11111111 0.1570 66 H -5.9531 -4.2355 0.1581 H 1 UNL11111111 0.1833 67 H -6.7329 -3.1322 1.2815 H 1 UNL11111111 0.1835 @BOND 1 44 17 1 2 48 20 1 3 63 4 1 4 49 20 1 5 3 23 2 6 20 17 1 7 20 19 1 8 17 43 1 9 17 9 1 10 33 8 1 11 39 15 1 12 4 27 1 13 58 25 1 14 34 9 1 15 47 18 1 16 23 27 1 17 23 11 1 18 8 9 1 19 8 15 1 20 8 7 1 21 9 10 1 22 15 40 1 23 15 16 1 24 19 25 2 25 19 13 1 26 25 26 1 27 42 16 1 28 27 59 1 29 27 60 1 30 53 22 1 31 45 18 1 32 16 11 1 33 16 41 1 34 18 7 1 35 18 46 1 36 54 22 1 37 11 7 1 38 11 1 1 39 7 12 1 40 22 13 1 41 22 52 1 42 10 13 1 43 10 35 1 44 10 14 1 45 13 21 1 46 26 5 2 47 26 24 1 48 6 28 2 49 57 2 1 50 1 28 1 51 2 14 1 52 14 12 1 53 14 38 1 54 12 37 1 55 12 36 1 56 56 24 1 57 24 21 1 58 24 55 1 59 21 51 1 60 21 50 1 61 28 29 1 62 65 30 1 63 29 61 1 64 29 30 1 65 29 62 1 66 64 30 1 67 30 31 1 68 31 67 1 69 31 32 1 70 31 66 1