@MOLECULE FDBD00876 79 80 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2340 0.4728 -0.4820 O.2 1 UNK -0.2869 2 O1 5.4491 -0.1505 0.4683 O.2 1 UNK -0.2870 3 C -3.4542 1.0373 1.5973 C.3 1 UNK -0.0439 4 C1 -3.8115 -0.4606 1.6730 C.3 1 UNK -0.0505 5 C2 -1.8168 -3.8313 1.5000 C.3 1 UNK -0.0439 6 C3 -2.6006 -1.3815 1.4807 C.3 1 UNK -0.0526 7 C4 -3.0063 -2.8552 1.5917 C.3 1 UNK -0.0505 8 C5 -3.1937 1.4870 0.1418 C.3 1 UNK -0.0505 9 C6 -0.9806 -3.7067 0.2092 C.3 1 UNK -0.0502 10 C7 -2.7444 2.9433 -0.0205 C.3 1 UNK -0.0526 11 C8 -2.5555 3.3608 -1.4854 C.3 1 UNK -0.0507 12 C9 -4.5061 1.9173 2.2778 C.3 1 UNK -0.0624 13 C10 -1.7325 -4.0229 -1.0889 C.3 1 UNK -0.0491 14 C11 -2.3107 -5.2673 1.7066 C.3 1 UNK -0.0624 15 C12 -2.0397 4.7937 -1.7176 C.3 1 UNK -0.0467 16 C13 -0.8283 -3.8182 -2.3104 C.3 1 UNK -0.0320 17 C14 -1.9624 5.0766 -3.2208 C.3 1 UNK -0.0627 18 C15 -0.6729 5.0348 -1.0759 C.3 1 UNK -0.0627 19 C16 -0.3500 -2.3855 -2.4432 C.2 1 UNK -0.0762 20 C17 0.9661 -2.1035 -2.3747 C.2 1 UNK -0.0806 21 C18 -1.4270 -1.3644 -2.6880 C.3 1 UNK -0.0438 22 C19 1.6266 -0.7637 -2.5212 C.3 1 UNK -0.0052 23 C20 2.3227 -0.3435 -1.2711 C.2 1 UNK 0.0102 24 C21 3.6343 -0.5189 -1.0223 C.2 1 UNK 0.0039 25 C22 1.4347 0.3305 -0.2743 C.2 1 UNK 0.1905 26 C23 2.0290 0.8216 0.9790 C.ar 1 UNK 0.0327 27 C24 3.3871 0.6546 1.2289 C.ar 1 UNK 0.0327 28 C25 4.2503 -0.0167 0.2444 C.2 1 UNK 0.1900 29 C26 4.5985 -1.2263 -1.9374 C.3 1 UNK -0.0357 30 C27 1.2182 1.4618 1.9254 C.ar 1 UNK -0.0502 31 C28 3.9403 1.1276 2.4262 C.ar 1 UNK -0.0502 32 C29 1.7714 1.9318 3.1167 C.ar 1 UNK -0.0610 33 C30 3.1310 1.7651 3.3668 C.ar 1 UNK -0.0610 34 H -2.5423 1.1659 2.1421 H 1 UNK 0.0298 35 H1 -4.5287 -0.6781 0.9093 H 1 UNK 0.0268 36 H2 -4.1990 -0.6457 2.6531 H 1 UNK 0.0268 37 H3 -1.1423 -3.5588 2.2847 H 1 UNK 0.0298 38 H4 -1.8715 -1.1620 2.2325 H 1 UNK 0.0265 39 H5 -2.1962 -1.2125 0.5046 H 1 UNK 0.0265 40 H6 -3.4927 -3.0022 2.5334 H 1 UNK 0.0268 41 H7 -3.6502 -3.0666 0.7637 H 1 UNK 0.0268 42 H8 -4.0997 1.3564 -0.4123 H 1 UNK 0.0268 43 H9 -2.3842 0.8849 -0.2147 H 1 UNK 0.0268 44 H10 -0.1528 -4.3805 0.2848 H 1 UNK 0.0268 45 H11 -0.6905 -2.6790 0.1414 H 1 UNK 0.0268 46 H12 -1.8136 3.0706 0.4916 H 1 UNK 0.0265 47 H13 -3.5171 3.5607 0.3878 H 1 UNK 0.0265 48 H14 -3.5018 3.2698 -1.9765 H 1 UNK 0.0268 49 H15 -1.7967 2.7143 -1.8743 H 1 UNK 0.0268 50 H16 -5.4394 1.8198 1.7636 H 1 UNK 0.0232 51 H17 -4.1886 2.9387 2.2501 H 1 UNK 0.0232 52 H18 -4.6254 1.6084 3.2953 H 1 UNK 0.0232 53 H19 -2.5807 -3.3755 -1.1688 H 1 UNK 0.0268 54 H20 -2.0438 -5.0463 -1.0624 H 1 UNK 0.0268 55 H21 -2.9839 -5.5299 0.9175 H 1 UNK 0.0232 56 H22 -2.8175 -5.3384 2.6463 H 1 UNK 0.0232 57 H23 -1.4755 -5.9361 1.7003 H 1 UNK 0.0232 58 H24 -2.7326 5.4618 -1.2503 H 1 UNK 0.0295 59 H25 -1.3764 -4.0803 -3.1912 H 1 UNK 0.0310 60 H26 0.0340 -4.4393 -2.1852 H 1 UNK 0.0310 61 H27 -1.2669 4.4024 -3.6753 H 1 UNK 0.0232 62 H28 -1.6373 6.0838 -3.3779 H 1 UNK 0.0232 63 H29 -2.9290 4.9412 -3.6594 H 1 UNK 0.0232 64 H30 0.0495 4.3818 -1.5194 H 1 UNK 0.0232 65 H31 -0.7326 4.8398 -0.0255 H 1 UNK 0.0232 66 H32 -0.3791 6.0515 -1.2338 H 1 UNK 0.0232 67 H33 1.5942 -2.9037 -2.2009 H 1 UNK 0.0575 68 H34 -2.3816 -1.8477 -2.6957 H 1 UNK 0.0274 69 H35 -1.2601 -0.8894 -3.6321 H 1 UNK 0.0274 70 H36 -1.4054 -0.6298 -1.9103 H 1 UNK 0.0274 71 H37 0.8807 -0.0355 -2.7625 H 1 UNK 0.0357 72 H38 2.3592 -0.8398 -3.2974 H 1 UNK 0.0357 73 H39 4.0822 -1.5528 -2.8159 H 1 UNK 0.0279 74 H40 5.0136 -2.0732 -1.4322 H 1 UNK 0.0279 75 H41 5.3848 -0.5555 -2.2144 H 1 UNK 0.0279 76 H42 0.2104 1.5858 1.7410 H 1 UNK 0.0625 77 H43 4.9478 1.0042 2.6125 H 1 UNK 0.0625 78 H44 1.1728 2.4032 3.8128 H 1 UNK 0.0618 79 H45 3.5400 2.1132 4.2480 H 1 UNK 0.0618 @BOND 1 1 25 2 2 2 28 2 3 3 4 1 4 3 8 1 5 3 12 1 6 4 6 1 7 5 7 1 8 5 9 1 9 5 14 1 10 6 7 1 11 8 10 1 12 9 13 1 13 10 11 1 14 11 15 1 15 13 16 1 16 15 17 1 17 15 18 1 18 16 19 1 19 19 20 2 20 19 21 1 21 20 22 1 22 22 23 1 23 23 24 2 24 23 25 1 25 24 28 1 26 24 29 1 27 25 26 1 28 26 27 ar 29 26 30 ar 30 27 28 1 31 27 31 ar 32 30 32 ar 33 31 33 ar 34 32 33 ar 35 3 34 1 36 4 35 1 37 4 36 1 38 5 37 1 39 6 38 1 40 6 39 1 41 7 40 1 42 7 41 1 43 8 42 1 44 8 43 1 45 9 44 1 46 9 45 1 47 10 46 1 48 10 47 1 49 11 48 1 50 11 49 1 51 12 50 1 52 12 51 1 53 12 52 1 54 13 53 1 55 13 54 1 56 14 55 1 57 14 56 1 58 14 57 1 59 15 58 1 60 16 59 1 61 16 60 1 62 17 61 1 63 17 62 1 64 17 63 1 65 18 64 1 66 18 65 1 67 18 66 1 68 20 67 1 69 21 68 1 70 21 69 1 71 21 70 1 72 22 71 1 73 22 72 1 74 29 73 1 75 29 74 1 76 29 75 1 77 30 76 1 78 31 77 1 79 32 78 1 80 33 79 1