@MOLECULE FDBD00037 73 75 0 0 0 SMALL GASTEIGER @ATOM 1 O 8.0473 -2.5448 -0.1733 O.3 1 UNK -0.3891 2 O1 -6.9060 -0.9022 -2.0754 O.3 1 UNK -0.3915 3 C 0.8687 1.4921 0.2510 C.3 1 UNK -0.0225 4 C1 2.1731 0.6854 0.4762 C.3 1 UNK -0.0325 5 C2 -0.0821 0.3345 -0.1429 C.3 1 UNK -0.0139 6 C3 1.7076 -0.5828 1.2218 C.3 1 UNK -0.0489 7 C4 0.2133 -0.7488 0.8993 C.3 1 UNK -0.0457 8 C5 0.9565 2.5162 -0.9054 C.3 1 UNK -0.0465 9 C6 3.3051 1.4103 1.1900 C.3 1 UNK -0.0405 10 C7 -1.4891 0.8177 -0.3792 C.2 1 UNK -0.0659 11 C8 0.4290 2.2253 1.5450 C.3 1 UNK -0.0588 12 C9 -0.2778 2.5123 -1.8281 C.3 1 UNK -0.0488 13 C10 -1.5887 2.1320 -1.1270 C.3 1 UNK -0.0312 14 C11 4.5403 0.5137 1.4192 C.3 1 UNK -0.0501 15 C12 3.6724 2.7013 0.4537 C.3 1 UNK -0.0621 16 C13 -2.5903 0.1615 0.0151 C.2 1 UNK -0.0620 17 C14 5.1521 -0.0945 0.1507 C.3 1 UNK -0.0502 18 C15 6.3366 -1.0033 0.4983 C.3 1 UNK -0.0245 19 C16 -3.9273 0.6402 -0.2337 C.2 1 UNK -0.0583 20 C17 6.9900 -1.7287 -0.6959 C.3 1 UNK 0.0605 21 C18 -5.0299 -0.0162 0.1608 C.2 1 UNK -0.0423 22 C19 -6.4181 0.4941 -0.1558 C.3 1 UNK -0.0013 23 C20 7.6098 -0.7582 -1.7035 C.3 1 UNK -0.0363 24 C21 6.0177 -2.6751 -1.4011 C.3 1 UNK -0.0363 25 C22 -4.9811 -1.2837 0.8827 C.2 1 UNK -0.0511 26 C23 -7.3250 -0.5910 -0.7481 C.3 1 UNK 0.0595 27 C24 -5.8748 -2.3677 0.3324 C.3 1 UNK -0.0256 28 C25 -7.3027 -1.8666 0.0965 C.3 1 UNK -0.0226 29 C26 -4.2265 -1.4732 1.9766 C.2 1 UNK -0.0952 30 H 8.6921 -1.9839 0.2855 H 1 UNK 0.2101 31 H1 -6.9183 -0.0966 -2.6156 H 1 UNK 0.2098 32 H2 2.6390 0.4815 -0.4652 H 1 UNK 0.0309 33 H3 0.0752 -0.1111 -1.1029 H 1 UNK 0.0351 34 H4 1.8483 -0.4655 2.2760 H 1 UNK 0.0268 35 H5 2.2690 -1.4412 0.9171 H 1 UNK 0.0268 36 H6 0.0197 -1.7215 0.4978 H 1 UNK 0.0271 37 H7 -0.4019 -0.6521 1.7694 H 1 UNK 0.0271 38 H8 1.8200 2.2879 -1.4946 H 1 UNK 0.0271 39 H9 1.0126 3.4877 -0.4605 H 1 UNK 0.0271 40 H10 2.9450 1.6702 2.1635 H 1 UNK 0.0301 41 H11 0.3662 1.5225 2.3494 H 1 UNK 0.0235 42 H12 -0.5284 2.6775 1.3909 H 1 UNK 0.0235 43 H13 1.1459 2.9817 1.7875 H 1 UNK 0.0235 44 H14 -0.1041 1.8109 -2.6173 H 1 UNK 0.0268 45 H15 -0.3991 3.5147 -2.1821 H 1 UNK 0.0268 46 H16 -1.8416 2.9042 -0.4308 H 1 UNK 0.0310 47 H17 -2.3392 2.0198 -1.8814 H 1 UNK 0.0310 48 H18 4.2510 -0.2892 2.0646 H 1 UNK 0.0268 49 H19 5.2938 1.1484 1.8366 H 1 UNK 0.0268 50 H20 4.0356 2.4632 -0.5242 H 1 UNK 0.0233 51 H21 4.4325 3.2196 1.0001 H 1 UNK 0.0233 52 H22 2.8058 3.3234 0.3706 H 1 UNK 0.0233 53 H23 -2.4749 -0.7302 0.5217 H 1 UNK 0.0617 54 H24 5.4909 0.6942 -0.4881 H 1 UNK 0.0266 55 H25 4.4049 -0.6796 -0.3435 H 1 UNK 0.0266 56 H26 5.9912 -1.7463 1.1864 H 1 UNK 0.0293 57 H27 7.0917 -0.3607 0.9005 H 1 UNK 0.0293 58 H28 -4.0425 1.5319 -0.7403 H 1 UNK 0.0620 59 H29 -6.3362 1.2947 -0.8610 H 1 UNK 0.0338 60 H30 -6.8604 0.8202 0.7623 H 1 UNK 0.0338 61 H31 8.2871 -0.1027 -1.1971 H 1 UNK 0.0257 62 H32 6.8359 -0.1827 -2.1669 H 1 UNK 0.0257 63 H33 8.1398 -1.3105 -2.4511 H 1 UNK 0.0257 64 H34 5.5922 -3.3474 -0.6856 H 1 UNK 0.0257 65 H35 6.5423 -3.2340 -2.1477 H 1 UNK 0.0257 66 H36 5.2383 -2.1062 -1.8635 H 1 UNK 0.0257 67 H37 -8.3244 -0.2088 -0.7566 H 1 UNK 0.0596 68 H38 -5.9038 -3.1790 1.0294 H 1 UNK 0.0314 69 H39 -5.4740 -2.6815 -0.6088 H 1 UNK 0.0314 70 H40 -7.8575 -2.6278 -0.4111 H 1 UNK 0.0293 71 H41 -7.7382 -1.6431 1.0480 H 1 UNK 0.0293 72 H42 -3.6257 -0.7110 2.3274 H 1 UNK 0.0538 73 H43 -4.2471 -2.3811 2.4668 H 1 UNK 0.0538 @BOND 1 1 20 1 2 2 26 1 3 3 4 1 4 3 5 1 5 3 8 1 6 3 11 1 7 4 6 1 8 4 9 1 9 5 7 1 10 5 10 1 11 6 7 1 12 8 12 1 13 9 14 1 14 9 15 1 15 10 13 1 16 10 16 2 17 12 13 1 18 14 17 1 19 16 19 1 20 17 18 1 21 18 20 1 22 19 21 2 23 20 23 1 24 20 24 1 25 21 22 1 26 21 25 1 27 22 26 1 28 25 27 1 29 25 29 2 30 26 28 1 31 27 28 1 32 1 30 1 33 2 31 1 34 4 32 1 35 5 33 1 36 6 34 1 37 6 35 1 38 7 36 1 39 7 37 1 40 8 38 1 41 8 39 1 42 9 40 1 43 11 41 1 44 11 42 1 45 11 43 1 46 12 44 1 47 12 45 1 48 13 46 1 49 13 47 1 50 14 48 1 51 14 49 1 52 15 50 1 53 15 51 1 54 15 52 1 55 16 53 1 56 17 54 1 57 17 55 1 58 18 56 1 59 18 57 1 60 19 58 1 61 22 59 1 62 22 60 1 63 23 61 1 64 23 62 1 65 23 63 1 66 24 64 1 67 24 65 1 68 24 66 1 69 26 67 1 70 27 68 1 71 27 69 1 72 28 70 1 73 28 71 1 74 29 72 1 75 29 73 1