@MOLECULE tulipanin 74 78 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.4569 -1.2642 0.9434 O.3 1 UNL1111 -0.4312 2 O -3.0706 0.0240 0.9551 O.3 1 UNL1111 -0.4820 3 O -5.3048 -0.6522 0.9675 O.3 1 UNL1111 -0.4606 4 O -2.7494 -4.0612 0.9772 O.3 1 UNL1111 -0.5426 5 O -0.0505 -5.2097 0.8533 O.3 1 UNL1111 -0.5211 6 O 1.6716 -0.9533 0.2801 O.3 1 UNL1111 -0.2811 7 O 1.6778 -3.5891 -0.8527 O.3 1 UNL1111 -0.4889 8 O -5.9658 2.0045 0.2602 O.3 1 UNL1111 -0.5325 9 O -4.9427 1.8022 -2.3008 O.3 1 UNL1111 -0.5461 10 O -4.9829 -1.1218 -2.5766 O.3 1 UNL1111 -0.5616 11 O 2.9649 2.3883 -0.0617 O.2 1 UNL1111 -0.1821 12 O -1.7758 3.0285 0.6731 O.3 1 UNL1111 -0.4700 13 O 1.0034 6.6885 0.0083 O.3 1 UNL1111 -0.4563 14 O 7.2626 0.0442 1.5406 O.3 1 UNL1111 -0.4450 15 O 5.5602 -2.1155 -2.4060 O.3 1 UNL1111 -0.4417 16 O 7.6350 -1.8007 -0.5379 O.3 1 UNL1111 -0.4831 17 C -1.7207 -1.8673 0.7637 C.3 1 UNL1111 0.0328 18 C -1.5492 -3.3503 1.1330 C.3 1 UNL1111 0.0372 19 C -0.4513 -3.9965 0.2552 C.3 1 UNL1111 0.0373 20 C 0.8434 -3.1547 0.1810 C.3 1 UNL1111 0.0665 21 C -4.6657 1.4957 0.0871 C.3 1 UNL1111 0.0246 22 C -4.4085 0.4045 1.1500 C.3 1 UNL1111 0.2731 23 C -4.5412 0.8831 -1.3166 C.3 1 UNL1111 0.0505 24 C -5.4212 -0.3765 -1.4561 C.3 1 UNL1111 0.0430 25 C 0.4948 -1.6620 -0.0325 C.3 1 UNL1111 0.2351 26 C -2.6312 -1.0921 1.7239 C.3 1 UNL1111 -0.0339 27 C -5.2252 -1.3488 -0.2728 C.3 1 UNL1111 0.1272 28 C -6.3471 -2.3727 -0.1892 C.3 1 UNL1111 -0.4706 29 C 1.5826 0.4126 0.1770 C.ar 1 UNL1111 0.1581 30 C 2.8208 1.0268 -0.0278 C.ar 1 UNL1111 0.0179 31 C 0.4287 1.1634 0.3231 C.ar 1 UNL1111 -0.2349 32 C 0.5624 2.5804 0.2708 C.ar 1 UNL1111 -0.2776 33 C 4.0924 0.3389 -0.1835 C.ar 1 UNL1111 0.1003 34 C 1.8318 3.1446 0.0634 C.ar 1 UNL1111 0.3054 35 C -0.5262 3.4678 0.4247 C.ar 1 UNL1111 0.3855 36 C 2.0405 4.5209 -0.0308 C.ar 1 UNL1111 -0.4470 37 C 4.2401 -0.5600 -1.2440 C.ar 1 UNL1111 -0.2628 38 C 5.1171 0.5652 0.7384 C.ar 1 UNL1111 -0.2724 39 C -0.3722 4.8479 0.3335 C.ar 1 UNL1111 -0.3843 40 C 0.9166 5.3424 0.0993 C.ar 1 UNL1111 0.3841 41 C 6.2966 -0.1726 0.6185 C.ar 1 UNL1111 0.2818 42 C 5.4355 -1.2716 -1.3563 C.ar 1 UNL1111 0.2837 43 C 6.4522 -1.1121 -0.4072 C.ar 1 UNL1111 -0.0795 44 H -2.0671 -1.7377 -0.2887 H 1 UNL1111 0.1429 45 H -1.3174 -3.4865 2.2168 H 1 UNL1111 0.1788 46 H -0.8374 -4.2272 -0.7631 H 1 UNL1111 0.1258 47 H 1.4802 -3.3046 1.0893 H 1 UNL1111 0.1983 48 H -4.0181 2.3961 0.2117 H 1 UNL1111 0.1909 49 H -4.5979 0.7194 2.1986 H 1 UNL1111 0.1529 50 H -3.4786 0.6626 -1.5768 H 1 UNL1111 0.1709 51 H -6.4874 -0.1080 -1.6117 H 1 UNL1111 0.1376 52 H 0.1407 -1.4067 -1.0511 H 1 UNL1111 0.1247 53 H -3.4724 -1.7119 2.0840 H 1 UNL1111 0.1585 54 H -2.0676 -0.6773 2.5831 H 1 UNL1111 0.1578 55 H -4.2271 -1.8344 -0.3439 H 1 UNL1111 0.1325 56 H -6.1605 -3.1063 0.6057 H 1 UNL1111 0.1619 57 H -7.3132 -1.9024 0.0338 H 1 UNL1111 0.1613 58 H -6.4462 -2.9140 -1.1406 H 1 UNL1111 0.1712 59 H -3.1556 -3.9094 0.0986 H 1 UNL1111 0.3185 60 H -0.8439 -5.7433 1.0890 H 1 UNL1111 0.3249 61 H 1.2114 -3.6306 -1.7132 H 1 UNL1111 0.3017 62 H -6.6070 1.2745 0.4261 H 1 UNL1111 0.3278 63 H -5.6730 2.3732 -1.9615 H 1 UNL1111 0.3378 64 H -4.9373 -0.5334 -3.3642 H 1 UNL1111 0.3390 65 H -0.5476 0.7219 0.4923 H 1 UNL1111 0.1847 66 H 3.0323 4.9199 -0.2000 H 1 UNL1111 0.1881 67 H 3.4444 -0.7176 -1.9676 H 1 UNL1111 0.1866 68 H 5.0030 1.2879 1.5430 H 1 UNL1111 0.1900 69 H -1.2189 5.5195 0.4414 H 1 UNL1111 0.2027 70 H -1.8329 2.0347 0.7592 H 1 UNL1111 0.3494 71 H 1.9296 6.9968 -0.1583 H 1 UNL1111 0.3323 72 H 8.0981 -0.4372 1.2914 H 1 UNL1111 0.3371 73 H 6.4828 -2.4875 -2.4485 H 1 UNL1111 0.3356 74 H 7.5591 -2.6662 -0.0602 H 1 UNL1111 0.3228 @BOND 1 1 17 1 2 1 25 1 3 2 22 1 4 2 26 1 5 3 22 1 6 3 27 1 7 4 18 1 8 4 59 1 9 5 19 1 10 5 60 1 11 6 25 1 12 6 29 1 13 7 20 1 14 7 61 1 15 8 21 1 16 8 62 1 17 9 23 1 18 9 63 1 19 10 24 1 20 10 64 1 21 11 30 ar 22 11 34 ar 23 12 35 1 24 12 70 1 25 13 40 1 26 13 71 1 27 14 41 1 28 14 72 1 29 15 42 1 30 15 73 1 31 16 43 1 32 16 74 1 33 17 18 1 34 17 26 1 35 17 44 1 36 18 19 1 37 18 45 1 38 19 20 1 39 19 46 1 40 20 25 1 41 20 47 1 42 21 22 1 43 21 23 1 44 21 48 1 45 22 49 1 46 23 24 1 47 23 50 1 48 24 27 1 49 24 51 1 50 25 52 1 51 26 53 1 52 26 54 1 53 27 28 1 54 27 55 1 55 28 56 1 56 28 57 1 57 28 58 1 58 29 30 ar 59 29 31 ar 60 30 33 1 61 31 32 ar 62 31 65 1 63 32 34 ar 64 32 35 ar 65 33 37 ar 66 33 38 ar 67 34 36 ar 68 35 39 ar 69 36 40 ar 70 36 66 1 71 37 42 ar 72 37 67 1 73 38 41 ar 74 38 68 1 75 39 40 ar 76 39 69 1 77 41 43 ar 78 42 43 ar