@MOLECULE prednisone 52 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9747 -0.1952 2.1939 O.3 1 UNL1111111111 -0.5426 2 O 0.6490 2.4783 -0.3464 O.2 1 UNL1111111111 -0.4599 3 O -4.5135 1.4639 0.7662 O.2 1 UNL1111111111 -0.4465 4 O -5.9268 0.8017 -1.4122 O.3 1 UNL1111111111 -0.5124 5 O 6.4571 0.1658 0.9630 O.2 1 UNL1111111111 -0.4488 6 C -1.7419 0.0579 0.1133 C.3 1 UNL1111111111 0.0459 7 C -0.8314 -1.1721 0.3891 C.3 1 UNL1111111111 -0.1461 8 C 0.4869 -1.0425 -0.3712 C.3 1 UNL1111111111 -0.1127 9 C 1.2290 0.2075 0.1718 C.3 1 UNL1111111111 -0.2422 10 C -3.0655 -0.4023 0.8032 C.3 1 UNL1111111111 0.1787 11 C -1.7383 -2.3718 0.0835 C.3 1 UNL1111111111 -0.2683 12 C -1.0687 1.2772 0.7349 C.3 1 UNL1111111111 -0.4086 13 C -3.1138 -1.9391 0.6397 C.3 1 UNL1111111111 -0.2969 14 C 2.5870 0.4140 -0.5577 C.3 1 UNL1111111111 0.0425 15 C 1.3595 -2.2901 -0.1886 C.3 1 UNL1111111111 -0.2750 16 C 0.3121 1.4229 0.1247 C.2 1 UNL1111111111 0.4842 17 C -1.9936 0.3181 -1.3748 C.3 1 UNL1111111111 -0.4783 18 C 2.6771 -2.1146 -0.9518 C.3 1 UNL1111111111 -0.2980 19 C 3.3711 -0.8808 -0.4647 C.2 1 UNL1111111111 0.0842 20 C -4.2786 0.3752 0.2964 C.2 1 UNL1111111111 0.3703 21 C 2.4125 0.7719 -2.0440 C.3 1 UNL1111111111 -0.4510 22 C 3.3157 1.5704 0.0824 C.2 1 UNL1111111111 -0.0889 23 C 4.6140 -0.9488 0.0296 C.2 1 UNL1111111111 -0.3457 24 C -5.1937 -0.2045 -0.7571 C.3 1 UNL1111111111 -0.1066 25 C 4.5521 1.4913 0.5807 C.2 1 UNL1111111111 -0.2993 26 C 5.3170 0.2309 0.5599 C.2 1 UNL1111111111 0.4751 27 H -0.6056 -1.1988 1.4889 H 1 UNL1111111111 0.1611 28 H 0.2854 -0.9109 -1.4610 H 1 UNL1111111111 0.1497 29 H 1.4671 0.0287 1.2553 H 1 UNL1111111111 0.1755 30 H -1.3782 -3.2936 0.5657 H 1 UNL1111111111 0.1419 31 H -1.7855 -2.5846 -0.9961 H 1 UNL1111111111 0.1397 32 H -0.9839 1.1788 1.8363 H 1 UNL1111111111 0.1816 33 H -1.6640 2.1991 0.5638 H 1 UNL1111111111 0.1881 34 H -3.9331 -2.2814 -0.0038 H 1 UNL1111111111 0.1402 35 H -3.2917 -2.3984 1.6346 H 1 UNL1111111111 0.1739 36 H 0.8265 -3.1876 -0.5518 H 1 UNL1111111111 0.1416 37 H 1.5617 -2.4721 0.8842 H 1 UNL1111111111 0.1509 38 H -2.3800 -0.5663 -1.8913 H 1 UNL1111111111 0.1513 39 H -2.7031 1.1430 -1.5299 H 1 UNL1111111111 0.1651 40 H -1.0759 0.6184 -1.8991 H 1 UNL1111111111 0.1632 41 H 2.4911 -2.0462 -2.0438 H 1 UNL1111111111 0.1571 42 H 3.3108 -3.0165 -0.8247 H 1 UNL1111111111 0.1557 43 H 1.8284 0.0226 -2.5848 H 1 UNL1111111111 0.1448 44 H 1.8989 1.7378 -2.1624 H 1 UNL1111111111 0.1763 45 H 3.3862 0.8605 -2.5429 H 1 UNL1111111111 0.1602 46 H 2.7654 2.5174 0.0830 H 1 UNL1111111111 0.1807 47 H -3.1862 0.7414 2.4258 H 1 UNL1111111111 0.3367 48 H 5.1790 -1.8784 0.0803 H 1 UNL1111111111 0.1778 49 H -5.9139 -0.9158 -0.3000 H 1 UNL1111111111 0.1535 50 H -4.6494 -0.7115 -1.5784 H 1 UNL1111111111 0.1662 51 H 5.0682 2.3439 1.0214 H 1 UNL1111111111 0.1801 52 H -6.1089 1.5519 -0.7941 H 1 UNL1111111111 0.3344 @BOND 1 1 10 1 2 1 47 1 3 2 16 2 4 3 20 2 5 4 24 1 6 4 52 1 7 5 26 2 8 6 7 1 9 6 10 1 10 6 12 1 11 6 17 1 12 7 8 1 13 7 11 1 14 7 27 1 15 8 9 1 16 8 15 1 17 8 28 1 18 9 14 1 19 9 16 1 20 9 29 1 21 10 13 1 22 10 20 1 23 11 13 1 24 11 30 1 25 11 31 1 26 12 16 1 27 12 32 1 28 12 33 1 29 13 34 1 30 13 35 1 31 14 19 1 32 14 21 1 33 14 22 1 34 15 18 1 35 15 36 1 36 15 37 1 37 17 38 1 38 17 39 1 39 17 40 1 40 18 19 1 41 18 41 1 42 18 42 1 43 19 23 2 44 20 24 1 45 21 43 1 46 21 44 1 47 21 45 1 48 22 25 2 49 22 46 1 50 23 26 1 51 23 48 1 52 24 49 1 53 24 50 1 54 25 26 1 55 25 51 1