@MOLECULE FDBD01831 67 69 0 0 0 SMALL GASTEIGER @ATOM 1 S -6.1214 0.9316 0.8560 S.O2 1 UNK 0.0424 2 O -2.5748 -2.6988 -0.2771 O.3 1 UNK -0.3705 3 O1 -3.3682 -0.1196 -0.1804 O.2 1 UNK -0.2717 4 O2 -7.5101 0.8625 1.2656 O.2 1 UNK -0.1554 5 O3 -5.1777 1.7791 1.5587 O.2 1 UNK -0.1554 6 N 2.5593 -2.9828 0.0932 N.pl3 1 UNK -0.3114 7 N1 1.8917 -0.8327 -0.6724 N.ar 1 UNK -0.2283 8 N2 2.9298 0.2676 1.6894 N.ar 1 UNK -0.2494 9 N3 -5.4634 -0.6403 0.7389 N.am 1 UNK -0.1883 10 C 1.5755 -3.7062 -0.6767 C.3 1 UNK 0.0139 11 C1 3.6773 -3.7265 0.6762 C.3 1 UNK 0.0192 12 C2 0.1822 -3.5431 -0.0748 C.3 1 UNK -0.0351 13 C3 -0.8903 -4.2982 -0.8612 C.3 1 UNK -0.0280 14 C4 2.4684 -1.5960 0.2770 C.ar 1 UNK 0.1405 15 C5 3.1434 -4.7565 1.6633 C.3 1 UNK -0.0467 16 C6 4.4758 -4.3885 -0.4389 C.3 1 UNK -0.0467 17 C7 -2.2749 -4.0877 -0.2636 C.3 1 UNK 0.0483 18 C8 2.9781 -1.0556 1.4371 C.ar 1 UNK 0.0682 19 C9 1.8435 0.4905 -0.4202 C.ar 1 UNK 0.0990 20 C10 2.3534 1.0308 0.7399 C.ar 1 UNK 0.0970 21 C11 1.2195 1.2782 -1.4582 C.ar 1 UNK 0.0025 22 C12 2.3186 2.4432 1.0425 C.ar 1 UNK 0.0024 23 C13 -3.8675 -2.4388 0.2535 C.3 1 UNK 0.1251 24 C14 1.9911 1.8000 -2.4966 C.ar 1 UNK -0.0525 25 C15 -0.1544 1.5167 -1.4225 C.ar 1 UNK -0.0525 26 C16 1.2291 2.9834 1.7259 C.ar 1 UNK -0.0525 27 C17 3.3746 3.2666 0.6518 C.ar 1 UNK -0.0525 28 C18 -4.1636 -0.9574 0.2288 C.2 1 UNK 0.2574 29 C19 1.3889 2.5603 -3.4991 C.ar 1 UNK -0.0611 30 C20 -0.7566 2.2769 -2.4251 C.ar 1 UNK -0.0611 31 C21 1.1954 4.3468 2.0183 C.ar 1 UNK -0.0611 32 C22 3.3410 4.6301 0.9444 C.ar 1 UNK -0.0611 33 C23 0.0151 2.7988 -3.4634 C.ar 1 UNK -0.0617 34 C24 2.2513 5.1701 1.6277 C.ar 1 UNK -0.0617 35 C25 -6.0802 1.3955 -0.8581 C.3 1 UNK 0.0736 36 H -6.0233 -1.3891 1.0472 H 1 UNK 0.1762 37 H1 1.8332 -4.7447 -0.6864 H 1 UNK 0.0464 38 H2 1.5651 -3.3134 -1.6719 H 1 UNK 0.0464 39 H3 4.3269 -3.0627 1.2075 H 1 UNK 0.0495 40 H4 -0.0678 -2.5028 -0.0664 H 1 UNK 0.0281 41 H5 0.2066 -3.9512 0.9140 H 1 UNK 0.0281 42 H6 -0.6608 -5.3432 -0.8464 H 1 UNK 0.0288 43 H7 -0.8974 -3.9230 -1.8633 H 1 UNK 0.0288 44 H8 2.4896 -5.4332 1.1539 H 1 UNK 0.0247 45 H9 2.6047 -4.2584 2.4421 H 1 UNK 0.0247 46 H10 3.9609 -5.3014 2.0872 H 1 UNK 0.0247 47 H11 3.8420 -5.0575 -0.9827 H 1 UNK 0.0247 48 H12 5.2927 -4.9354 -0.0164 H 1 UNK 0.0247 49 H13 4.8537 -3.6378 -1.1011 H 1 UNK 0.0247 50 H14 -3.0011 -4.6178 -0.8438 H 1 UNK 0.0560 51 H15 -2.2958 -4.4537 0.7416 H 1 UNK 0.0560 52 H16 3.4098 -1.6826 2.1339 H 1 UNK 0.0865 53 H17 -3.9102 -2.7893 1.2636 H 1 UNK 0.0657 54 H18 -4.5949 -2.9463 -0.3451 H 1 UNK 0.0657 55 H19 3.0076 1.6235 -2.5231 H 1 UNK 0.0624 56 H20 -0.7253 1.1307 -0.6543 H 1 UNK 0.0624 57 H21 0.4479 2.3742 2.0152 H 1 UNK 0.0624 58 H22 4.1807 2.8670 0.1463 H 1 UNK 0.0624 59 H23 1.9598 2.9464 -4.2672 H 1 UNK 0.0618 60 H24 -1.7731 2.4532 -2.3987 H 1 UNK 0.0618 61 H25 0.3892 4.7464 2.5237 H 1 UNK 0.0618 62 H26 4.1223 5.2393 0.6554 H 1 UNK 0.0618 63 H27 -0.4304 3.3613 -4.2051 H 1 UNK 0.0618 64 H28 2.2264 6.1788 1.8442 H 1 UNK 0.0618 65 H29 -6.4699 2.3858 -0.9690 H 1 UNK 0.0482 66 H30 -6.6755 0.7122 -1.4269 H 1 UNK 0.0482 67 H31 -5.0704 1.3680 -1.2109 H 1 UNK 0.0482 @BOND 1 1 4 2 2 1 5 2 3 1 9 1 4 1 35 1 5 2 17 1 6 2 23 1 7 3 28 2 8 6 10 1 9 6 11 1 10 6 14 1 11 7 14 ar 12 7 19 ar 13 8 18 ar 14 8 20 ar 15 9 28 am 16 10 12 1 17 11 15 1 18 11 16 1 19 12 13 1 20 13 17 1 21 14 18 ar 22 19 20 ar 23 19 21 1 24 20 22 1 25 21 24 ar 26 21 25 ar 27 22 26 ar 28 22 27 ar 29 23 28 1 30 24 29 ar 31 25 30 ar 32 26 31 ar 33 27 32 ar 34 29 33 ar 35 30 33 ar 36 31 34 ar 37 32 34 ar 38 9 36 1 39 10 37 1 40 10 38 1 41 11 39 1 42 12 40 1 43 12 41 1 44 13 42 1 45 13 43 1 46 15 44 1 47 15 45 1 48 15 46 1 49 16 47 1 50 16 48 1 51 16 49 1 52 17 50 1 53 17 51 1 54 18 52 1 55 23 53 1 56 23 54 1 57 24 55 1 58 25 56 1 59 26 57 1 60 27 58 1 61 29 59 1 62 30 60 1 63 31 61 1 64 32 62 1 65 33 63 1 66 34 64 1 67 35 65 1 68 35 66 1 69 35 67 1