@MOLECULE FDBD00780 56 59 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.3578 2.1374 -2.3202 S.3 1 UNK -0.1311 2 S1 -3.5973 -0.0319 -0.6670 S.3 1 UNK -0.0287 3 O 1.8392 1.8040 2.0738 O.2 1 UNK -0.2731 4 O1 -1.8194 2.5622 2.5458 O.co2 1 UNK -0.5433 5 O2 4.6591 1.4712 0.7259 O.2 1 UNK -0.2754 6 O3 -1.2903 0.3648 2.1972 O.co2 1 UNK -0.5433 7 O4 -4.8871 -4.5983 0.1236 O.co2 1 UNK -0.5436 8 O5 -5.3603 -2.8999 1.5619 O.co2 1 UNK -0.5436 9 N 0.3440 2.3298 0.3278 N.am 1 UNK -0.2533 10 N1 3.0656 1.7030 -0.9450 N.am 1 UNK -0.3015 11 N2 -6.0371 -1.2352 -0.5839 N.ar 1 UNK -0.0320 12 N3 -6.1229 0.9048 -0.2437 N.ar 1 UNK -0.1918 13 N4 3.3391 -3.0469 -1.6278 N.4 1 UNK 0.2219 14 N5 -7.3354 -0.9598 -0.3972 N.ar 1 UNK 0.1379 15 N6 -7.3818 0.3504 -0.1891 N.ar 1 UNK -0.0027 16 C 0.8528 3.0373 -0.8331 C.3 1 UNK 0.1041 17 C1 2.2627 2.7303 -0.2825 C.3 1 UNK 0.1283 18 C2 1.5193 2.2176 0.9839 C.2 1 UNK 0.2438 19 C3 -0.9596 1.9865 0.4910 C.2 1 UNK 0.0607 20 C4 -1.8336 2.0166 -0.5431 C.2 1 UNK -0.0262 21 C5 -1.4245 2.3328 -1.9800 C.3 1 UNK 0.0195 22 C6 -3.3112 1.7290 -0.4251 C.3 1 UNK 0.0293 23 C7 4.2139 1.1530 -0.3738 C.2 1 UNK 0.2180 24 C8 -1.3641 1.5186 1.8251 C.2 1 UNK 0.0860 25 C9 4.8552 0.1130 -1.2717 C.3 1 UNK 0.0495 26 C10 5.6252 -0.9358 -0.5137 C.ar 1 UNK -0.0304 27 C11 4.9989 -2.0989 -0.0860 C.ar 1 UNK 0.0006 28 C12 6.9713 -0.7140 -0.2537 C.ar 1 UNK -0.0577 29 C13 -5.3556 -0.0958 -0.4834 C.ar 1 UNK 0.3643 30 C14 3.5522 -2.3495 -0.3594 C.3 1 UNK -0.0092 31 C15 5.7314 -3.0573 0.6144 C.ar 1 UNK -0.0533 32 C16 7.7039 -1.6724 0.4468 C.ar 1 UNK -0.0615 33 C17 7.0839 -2.8441 0.8809 C.ar 1 UNK -0.0613 34 C18 -5.6090 -2.5870 -0.8414 C.3 1 UNK 0.2198 35 C19 -5.2864 -3.3355 0.4227 C.2 1 UNK 0.1096 36 H 2.7835 1.3855 -1.8332 H 1 UNK 0.1495 37 H1 -5.8700 1.8490 -0.1262 H 1 UNK 0.1972 38 H2 2.3401 -3.1952 -1.7706 H 1 UNK 0.1997 39 H3 3.8167 -3.9479 -1.6049 H 1 UNK 0.1997 40 H4 3.7119 -2.4838 -2.3922 H 1 UNK 0.1997 41 H5 0.6085 4.0400 -1.1155 H 1 UNK 0.0644 42 H6 3.0232 3.4830 -0.2867 H 1 UNK 0.0622 43 H7 -1.9630 1.6778 -2.6326 H 1 UNK 0.0423 44 H8 -1.6535 3.3655 -2.1412 H 1 UNK 0.0423 45 H9 -3.6546 2.0165 0.5467 H 1 UNK 0.0428 46 H10 -3.8443 2.2837 -1.1687 H 1 UNK 0.0428 47 H11 5.5264 0.6096 -1.9409 H 1 UNK 0.0407 48 H12 4.0649 -0.3878 -1.7909 H 1 UNK 0.0407 49 H13 7.4266 0.1541 -0.5766 H 1 UNK 0.0621 50 H14 3.1507 -2.9461 0.4329 H 1 UNK 0.0866 51 H15 3.0618 -1.4005 -0.4214 H 1 UNK 0.0866 52 H16 5.2727 -3.9242 0.9355 H 1 UNK 0.0622 53 H17 8.7045 -1.5146 0.6439 H 1 UNK 0.0618 54 H18 7.6258 -3.5532 1.3992 H 1 UNK 0.0618 55 H19 -4.7345 -2.5593 -1.4573 H 1 UNK 0.1123 56 H20 -6.4139 -3.0978 -1.3273 H 1 UNK 0.1123 @BOND 1 1 16 1 2 1 21 1 3 2 22 1 4 2 29 1 5 3 18 2 6 4 24 ar 7 5 23 2 8 6 24 ar 9 7 35 ar 10 8 35 ar 11 9 16 1 12 9 18 am 13 9 19 1 14 10 17 1 15 10 23 am 16 11 14 ar 17 11 29 ar 18 11 34 1 19 12 15 ar 20 12 29 ar 21 13 30 1 22 14 15 ar 23 16 17 1 24 17 18 1 25 19 20 2 26 19 24 1 27 20 21 1 28 20 22 1 29 23 25 1 30 25 26 1 31 26 27 ar 32 26 28 ar 33 27 30 1 34 27 31 ar 35 28 32 ar 36 31 33 ar 37 32 33 ar 38 34 35 1 39 10 36 1 40 12 37 1 41 13 38 1 42 13 39 1 43 13 40 1 44 16 41 1 45 17 42 1 46 21 43 1 47 21 44 1 48 22 45 1 49 22 46 1 50 25 47 1 51 25 48 1 52 28 49 1 53 30 50 1 54 30 51 1 55 31 52 1 56 32 53 1 57 33 54 1 58 34 55 1 59 34 56 1