@MOLECULE FDBD01366 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.8756 -0.5824 1.3179 S.2 1 UNK -0.1014 2 O 4.2191 -2.8512 -0.0810 O.3 1 UNK -0.5065 3 N -0.7200 1.3204 -0.8005 N.4 1 UNK 0.2379 4 C 0.3965 0.5273 -0.2884 C.3 1 UNK -0.0165 5 C1 0.6549 -0.6694 -1.2058 C.3 1 UNK -0.0052 6 C2 1.6617 1.3898 -0.1828 C.3 1 UNK 0.0159 7 C3 1.7455 -1.5644 -0.6168 C.3 1 UNK -0.0189 8 C4 2.9058 0.5830 0.1015 C.ar 1 UNK -0.0354 9 C5 2.9567 -0.8014 -0.1427 C.ar 1 UNK -0.0024 10 C6 -1.9263 0.4997 -0.9017 C.3 1 UNK -0.0271 11 C7 -0.9608 2.4789 0.0591 C.3 1 UNK -0.0319 12 C8 -2.2992 -0.0988 0.4561 C.3 1 UNK 0.0189 13 C9 -2.1042 3.3233 -0.4978 C.3 1 UNK -0.0153 14 C10 4.0545 1.2437 0.5635 C.ar 1 UNK -0.0579 15 C11 4.1444 -1.5028 0.1152 C.ar 1 UNK 0.1203 16 C12 5.2318 0.5368 0.8060 C.ar 1 UNK -0.0580 17 C13 5.2759 -0.8363 0.5843 C.ar 1 UNK -0.0199 18 C14 -3.5299 -0.9658 0.3557 C.ar 1 UNK -0.0052 19 C15 -2.3609 4.5476 0.3673 C.3 1 UNK -0.0605 20 C16 -3.7112 -2.0572 -0.4342 C.ar 1 UNK -0.0514 21 C17 -5.0104 -2.6128 -0.2502 C.ar 1 UNK -0.0545 22 C18 -5.7482 -1.9081 0.6752 C.ar 1 UNK -0.0241 23 H 3.4719 -3.3210 -0.3956 H 1 UNK 0.2921 24 H1 -0.4776 1.6548 -1.7331 H 1 UNK 0.2036 25 H2 0.1421 0.1704 0.6877 H 1 UNK 0.0854 26 H3 0.9683 -0.3167 -2.1661 H 1 UNK 0.0323 27 H4 -0.2474 -1.2367 -1.3000 H 1 UNK 0.0323 28 H5 1.5265 2.0975 0.6083 H 1 UNK 0.0368 29 H6 1.8013 1.8691 -1.1292 H 1 UNK 0.0368 30 H7 2.0558 -2.2599 -1.3684 H 1 UNK 0.0316 31 H8 1.3256 -2.0523 0.2379 H 1 UNK 0.0316 32 H9 -1.7519 -0.2940 -1.5977 H 1 UNK 0.0818 33 H10 -2.7329 1.1195 -1.2336 H 1 UNK 0.0818 34 H11 -0.0729 3.0741 0.1062 H 1 UNK 0.0814 35 H12 -1.2253 2.1371 1.0379 H 1 UNK 0.0814 36 H13 -2.4887 0.6961 1.1468 H 1 UNK 0.0370 37 H14 -1.4851 -0.7069 0.7914 H 1 UNK 0.0370 38 H15 -2.9926 2.7279 -0.5312 H 1 UNK 0.0314 39 H16 -1.8324 3.6543 -1.4784 H 1 UNK 0.0314 40 H17 4.0277 2.2626 0.7253 H 1 UNK 0.0620 41 H18 6.0697 1.0316 1.1496 H 1 UNK 0.0619 42 H19 6.1455 -1.3611 0.7670 H 1 UNK 0.0654 43 H20 -2.6346 4.2363 1.3537 H 1 UNK 0.0232 44 H21 -3.1554 5.1245 -0.0579 H 1 UNK 0.0232 45 H22 -1.4733 5.1433 0.4147 H 1 UNK 0.0232 46 H23 -3.0014 -2.4338 -1.0818 H 1 UNK 0.0626 47 H24 -5.3578 -3.4454 -0.7514 H 1 UNK 0.0623 48 H25 -6.7132 -2.1506 0.9489 H 1 UNK 0.0693 @BOND 1 1 18 ar 2 1 22 ar 3 2 15 1 4 3 4 1 5 3 10 1 6 3 11 1 7 4 5 1 8 4 6 1 9 5 7 1 10 6 8 1 11 7 9 1 12 8 9 ar 13 8 14 ar 14 9 15 ar 15 10 12 1 16 11 13 1 17 12 18 1 18 13 19 1 19 14 16 ar 20 15 17 ar 21 16 17 ar 22 18 20 ar 23 20 21 ar 24 21 22 ar 25 2 23 1 26 3 24 1 27 4 25 1 28 5 26 1 29 5 27 1 30 6 28 1 31 6 29 1 32 7 30 1 33 7 31 1 34 10 32 1 35 10 33 1 36 11 34 1 37 11 35 1 38 12 36 1 39 12 37 1 40 13 38 1 41 13 39 1 42 14 40 1 43 16 41 1 44 17 42 1 45 19 43 1 46 19 44 1 47 19 45 1 48 20 46 1 49 21 47 1 50 22 48 1