@MOLECULE FDBD00675 54 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.7000 -2.9403 -0.0314 O.2 1 UNK -0.2753 2 N 1.2909 -0.1114 -0.4784 N.4 1 UNK 0.2356 3 N1 -2.8764 -0.7175 -0.0363 N.am 1 UNK -0.2680 4 C -1.4766 -1.0199 -0.2022 C.3 1 UNK 0.0407 5 C1 -0.9404 -0.4203 -1.5019 C.3 1 UNK 0.0067 6 C2 -0.6597 -0.5161 0.9880 C.3 1 UNK 0.0067 7 C3 0.5661 -0.6478 -1.6387 C.3 1 UNK -0.0302 8 C4 0.8373 -0.7417 0.7691 C.3 1 UNK -0.0302 9 C5 2.7326 -0.2919 -0.6480 C.3 1 UNK -0.0278 10 C6 3.5059 0.3786 0.4882 C.3 1 UNK 0.0127 11 C7 -3.2795 0.6836 0.0623 C.ar 1 UNK 0.0366 12 C8 -3.8870 -1.7228 0.0362 C.2 1 UNK 0.2198 13 C9 4.9952 0.2192 0.3135 C.ar 1 UNK -0.0423 14 C10 -5.3128 -1.1944 0.1652 C.3 1 UNK 0.0217 15 C11 -3.3214 1.2427 1.3046 C.ar 1 UNK -0.0403 16 C12 -3.5847 1.3353 -1.0951 C.ar 1 UNK -0.0403 17 C13 -6.3477 -2.3057 0.2534 C.3 1 UNK -0.0570 18 C14 5.6318 -0.8815 0.8667 C.ar 1 UNK -0.0584 19 C15 5.7039 1.1761 -0.3973 C.ar 1 UNK -0.0584 20 C16 -3.7053 2.5805 1.3984 C.ar 1 UNK -0.0600 21 C17 -3.9684 2.6732 -1.0014 C.ar 1 UNK -0.0600 22 C18 -4.0287 3.2957 0.2454 C.ar 1 UNK -0.0616 23 C19 7.0096 -1.0288 0.7055 C.ar 1 UNK -0.0615 24 C20 7.0814 1.0288 -0.5586 C.ar 1 UNK -0.0615 25 C21 7.7343 -0.0737 -0.0071 C.ar 1 UNK -0.0617 26 H 1.0911 0.8869 -0.4168 H 1 UNK 0.2033 27 H1 -1.3785 -2.0842 -0.2515 H 1 UNK 0.0508 28 H2 -1.1360 0.6317 -1.5072 H 1 UNK 0.0335 29 H3 -1.4305 -0.9005 -2.3229 H 1 UNK 0.0335 30 H4 -0.9663 -1.0410 1.8685 H 1 UNK 0.0335 31 H5 -0.8311 0.5346 1.0951 H 1 UNK 0.0335 32 H6 0.7553 -1.6983 -1.7135 H 1 UNK 0.0815 33 H7 0.9076 -0.1401 -2.5165 H 1 UNK 0.0815 34 H8 1.3780 -0.3198 1.5904 H 1 UNK 0.0815 35 H9 1.0159 -1.7946 0.7022 H 1 UNK 0.0815 36 H10 3.0325 0.1418 -1.5791 H 1 UNK 0.0818 37 H11 2.9489 -1.3397 -0.6358 H 1 UNK 0.0818 38 H12 3.2152 -0.0668 1.4166 H 1 UNK 0.0365 39 H13 3.2770 1.4238 0.4786 H 1 UNK 0.0365 40 H14 -5.5321 -0.5901 -0.6902 H 1 UNK 0.0356 41 H15 -5.3667 -0.6313 1.0734 H 1 UNK 0.0356 42 H16 -3.0779 0.6961 2.1454 H 1 UNK 0.0636 43 H17 -3.5338 0.8563 -2.0078 H 1 UNK 0.0636 44 H18 -6.3204 -2.8904 -0.6423 H 1 UNK 0.0234 45 H19 -7.3214 -1.8778 0.3706 H 1 UNK 0.0234 46 H20 -6.1292 -2.9306 1.0940 H 1 UNK 0.0234 47 H21 5.0911 -1.5855 1.3930 H 1 UNK 0.0620 48 H22 5.2163 1.9900 -0.8033 H 1 UNK 0.0620 49 H23 -3.7500 3.0410 2.3209 H 1 UNK 0.0618 50 H24 -4.2076 3.2024 -1.8545 H 1 UNK 0.0618 51 H25 -4.3126 4.2855 0.3148 H 1 UNK 0.0618 52 H26 7.4926 -1.8444 1.1135 H 1 UNK 0.0618 53 H27 7.6177 1.7354 -1.0860 H 1 UNK 0.0618 54 H28 8.7536 -0.1826 -0.1264 H 1 UNK 0.0618 @BOND 1 1 12 2 2 2 7 1 3 2 8 1 4 2 9 1 5 3 4 1 6 3 11 1 7 3 12 am 8 4 5 1 9 4 6 1 10 5 7 1 11 6 8 1 12 9 10 1 13 10 13 1 14 11 15 ar 15 11 16 ar 16 12 14 1 17 13 18 ar 18 13 19 ar 19 14 17 1 20 15 20 ar 21 16 21 ar 22 18 23 ar 23 19 24 ar 24 20 22 ar 25 21 22 ar 26 23 25 ar 27 24 25 ar 28 2 26 1 29 4 27 1 30 5 28 1 31 5 29 1 32 6 30 1 33 6 31 1 34 7 32 1 35 7 33 1 36 8 34 1 37 8 35 1 38 9 36 1 39 9 37 1 40 10 38 1 41 10 39 1 42 14 40 1 43 14 41 1 44 15 42 1 45 16 43 1 46 17 44 1 47 17 45 1 48 17 46 1 49 18 47 1 50 19 48 1 51 20 49 1 52 21 50 1 53 22 51 1 54 23 52 1 55 24 53 1 56 25 54 1