@MOLECULE FDBD00803 60 63 0 0 0 SMALL GASTEIGER @ATOM 1 S 3.3288 0.3111 -1.2972 S.3 1 UNK -0.1275 2 S1 -7.0782 -1.2957 -1.2412 S.O2 1 UNK 0.0459 3 O 4.0995 -2.0182 2.3624 O.2 1 UNK -0.2734 4 O1 7.7699 -0.3629 0.7040 O.co2 1 UNK -0.5478 5 O2 7.1185 -2.1547 -0.5456 O.co2 1 UNK -0.5478 6 O3 0.0214 -1.1637 -0.9176 O.2 1 UNK -0.2734 7 O4 -2.6990 0.8796 2.6268 O.2 1 UNK -0.2521 8 O5 -3.9568 -0.9458 -1.0647 O.2 1 UNK -0.2503 9 O6 -6.3177 -1.9663 -2.2833 O.2 1 UNK -0.1552 10 O7 -8.2778 -1.9047 -0.6897 O.2 1 UNK -0.1552 11 N 4.5305 -1.5167 0.0967 N.am 1 UNK -0.2761 12 N1 1.4993 -0.9201 0.8541 N.am 1 UNK -0.2999 13 N2 -1.9216 0.0951 0.5987 N.am 1 UNK -0.2836 14 N3 -4.2105 -0.0414 1.1152 N.am 1 UNK -0.2069 15 N4 -6.0430 -0.8436 0.0147 N.am 1 UNK -0.1583 16 C 3.3812 -1.4523 -0.8110 C.3 1 UNK 0.1003 17 C1 5.1802 0.4476 -1.1465 C.3 1 UNK 0.0366 18 C2 5.5152 -0.4545 0.0608 C.3 1 UNK 0.0807 19 C3 2.5023 -1.8685 0.3765 C.3 1 UNK 0.1277 20 C4 3.8085 -1.8834 1.1955 C.2 1 UNK 0.2401 21 C5 5.5508 1.9063 -0.8726 C.3 1 UNK -0.0486 22 C6 5.7972 -0.0111 -2.4748 C.3 1 UNK -0.0486 23 C7 6.8624 -1.1025 0.0206 C.2 1 UNK 0.0635 24 C8 0.3225 -0.6425 0.1546 C.2 1 UNK 0.2386 25 C9 -0.5339 0.4176 0.8351 C.3 1 UNK 0.1261 26 C10 -0.1892 1.8091 0.3584 C.ar 1 UNK -0.0184 27 C11 -2.9184 0.3561 1.5317 C.2 1 UNK 0.3106 28 C12 -5.3440 0.0812 2.0308 C.3 1 UNK 0.0430 29 C13 -6.6036 -0.1714 1.2059 C.3 1 UNK 0.0552 30 C14 -4.6303 -0.6466 -0.0897 C.2 1 UNK 0.3313 31 C15 0.7915 2.5495 1.0186 C.ar 1 UNK -0.0563 32 C16 -0.8511 2.3534 -0.7422 C.ar 1 UNK -0.0563 33 C17 1.1101 3.8342 0.5784 C.ar 1 UNK -0.0614 34 C18 -0.5325 3.6381 -1.1824 C.ar 1 UNK -0.0614 35 C19 -7.5302 0.3091 -1.8590 C.3 1 UNK 0.0739 36 C20 0.4481 4.3784 -0.5220 C.ar 1 UNK -0.0617 37 H 1.6599 -0.4557 1.7072 H 1 UNK 0.1496 38 H1 -2.1711 -0.3256 -0.2557 H 1 UNK 0.1513 39 H2 3.2323 -1.9807 -1.7294 H 1 UNK 0.0640 40 H3 5.5106 0.1833 0.9199 H 1 UNK 0.0576 41 H4 1.8331 -2.6998 0.2994 H 1 UNK 0.0622 42 H5 5.1164 2.2166 0.0547 H 1 UNK 0.0244 43 H6 5.1799 2.5232 -1.6643 H 1 UNK 0.0244 44 H7 6.6153 1.9994 -0.8167 H 1 UNK 0.0244 45 H8 5.5326 -1.0317 -2.6574 H 1 UNK 0.0244 46 H9 6.8623 0.0774 -2.4227 H 1 UNK 0.0244 47 H10 5.4269 0.6012 -3.2703 H 1 UNK 0.0244 48 H11 -0.3401 0.4155 1.8874 H 1 UNK 0.0646 49 H12 -5.3714 1.0634 2.4543 H 1 UNK 0.0486 50 H13 -5.2651 -0.6181 2.8368 H 1 UNK 0.0486 51 H14 -7.2911 -0.8055 1.7257 H 1 UNK 0.0499 52 H15 -7.1661 0.7117 0.9853 H 1 UNK 0.0499 53 H16 1.2814 2.1468 1.8328 H 1 UNK 0.0621 54 H17 -1.5765 1.8056 -1.2308 H 1 UNK 0.0621 55 H18 1.8356 4.3820 1.0669 H 1 UNK 0.0618 56 H19 -1.0222 4.0409 -1.9966 H 1 UNK 0.0618 57 H20 -8.2036 0.1974 -2.6830 H 1 UNK 0.0482 58 H21 -6.6518 0.8266 -2.1839 H 1 UNK 0.0482 59 H22 -8.0072 0.8691 -1.0819 H 1 UNK 0.0482 60 H23 0.6838 5.3289 -0.8477 H 1 UNK 0.0618 @BOND 1 1 16 1 2 1 17 1 3 2 9 2 4 2 10 2 5 2 15 1 6 2 35 1 7 3 20 2 8 4 23 ar 9 5 23 ar 10 6 24 2 11 7 27 2 12 8 30 2 13 11 16 1 14 11 18 1 15 11 20 am 16 12 19 1 17 12 24 am 18 13 25 1 19 13 27 am 20 14 27 am 21 14 28 1 22 14 30 am 23 15 29 1 24 15 30 am 25 16 19 1 26 17 18 1 27 17 21 1 28 17 22 1 29 18 23 1 30 19 20 1 31 24 25 1 32 25 26 1 33 26 31 ar 34 26 32 ar 35 28 29 1 36 31 33 ar 37 32 34 ar 38 33 36 ar 39 34 36 ar 40 12 37 1 41 13 38 1 42 16 39 1 43 18 40 1 44 19 41 1 45 21 42 1 46 21 43 1 47 21 44 1 48 22 45 1 49 22 46 1 50 22 47 1 51 25 48 1 52 28 49 1 53 28 50 1 54 29 51 1 55 29 52 1 56 31 53 1 57 32 54 1 58 33 55 1 59 34 56 1 60 35 57 1 61 35 58 1 62 35 59 1 63 36 60 1