@MOLECULE FDBD00067 62 64 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.9038 2.8172 0.4708 O.2 1 UNK -0.2694 2 O1 2.0789 -2.6276 -0.9358 O.co2 1 UNK -0.5479 3 O2 1.7662 -1.2947 0.8867 O.co2 1 UNK -0.5479 4 O3 -4.1679 2.2009 -0.2198 O.3 1 UNK -0.4610 5 O4 -2.6811 2.9105 1.3925 O.2 1 UNK -0.2444 6 N 2.8078 0.8583 -0.3638 N.am 1 UNK -0.2853 7 N1 -0.5737 2.0246 -0.0390 N.4 1 UNK 0.2457 8 C 5.0388 -0.0049 -0.4423 C.3 1 UNK -0.0203 9 C1 4.1604 1.1235 0.1176 C.3 1 UNK 0.0297 10 C2 4.1864 -0.7043 -1.4980 C.3 1 UNK -0.0245 11 C3 5.4242 -0.8621 0.7611 C.3 1 UNK -0.0484 12 C4 4.2879 1.0443 1.6436 C.3 1 UNK -0.0340 13 C5 2.7422 -0.3822 -1.1277 C.3 1 UNK 0.0662 14 C6 5.4931 0.1480 1.8943 C.3 1 UNK -0.0511 15 C7 1.7873 1.7824 -0.1893 C.2 1 UNK 0.2643 16 C8 2.1439 -1.4517 -0.2648 C.2 1 UNK 0.0622 17 C9 0.4794 1.4639 -0.8683 C.3 1 UNK 0.0531 18 C10 0.4575 2.0666 -2.2586 C.3 1 UNK -0.0129 19 C11 -1.8887 1.7584 -0.6094 C.3 1 UNK 0.0770 20 C12 -2.1474 0.2509 -0.7622 C.3 1 UNK 0.0048 21 C13 -2.9240 2.3617 0.3254 C.2 1 UNK 0.3560 22 C14 -2.1302 -0.5534 0.5453 C.3 1 UNK -0.0220 23 C15 -2.4485 -2.0160 0.3634 C.ar 1 UNK -0.0471 24 C16 -3.7664 -2.4410 0.4412 C.ar 1 UNK -0.0586 25 C17 -1.4185 -2.9123 0.1210 C.ar 1 UNK -0.0586 26 C18 -5.2525 2.7308 0.5491 C.3 1 UNK 0.0899 27 C19 -4.0610 -3.7940 0.2727 C.ar 1 UNK -0.0615 28 C20 -1.7132 -4.2652 -0.0476 C.ar 1 UNK -0.0615 29 C21 -6.5503 2.4732 -0.1864 C.3 1 UNK -0.0306 30 C22 -3.0345 -4.7060 0.0283 C.ar 1 UNK -0.0617 31 H -0.4397 3.0332 0.0329 H 1 UNK 0.2030 32 H1 -0.5263 1.5901 0.8826 H 1 UNK 0.2030 33 H2 5.9493 0.2904 -0.9205 H 1 UNK 0.0319 34 H3 4.4370 2.1106 -0.1892 H 1 UNK 0.0503 35 H4 4.3527 -1.7610 -1.4740 H 1 UNK 0.0290 36 H5 4.4274 -0.3752 -2.4872 H 1 UNK 0.0290 37 H6 6.3723 -1.3341 0.6089 H 1 UNK 0.0269 38 H7 4.7350 -1.6588 0.9486 H 1 UNK 0.0269 39 H8 3.4059 0.6167 2.0727 H 1 UNK 0.0283 40 H9 4.4076 2.0108 2.0869 H 1 UNK 0.0283 41 H10 2.1351 -0.3063 -2.0055 H 1 UNK 0.0562 42 H11 6.4030 0.7094 1.8517 H 1 UNK 0.0266 43 H12 5.4793 -0.3088 2.8618 H 1 UNK 0.0266 44 H13 0.3433 0.4083 -0.9784 H 1 UNK 0.0947 45 H14 0.5912 3.1260 -2.1902 H 1 UNK 0.0289 46 H15 -0.4823 1.8550 -2.7243 H 1 UNK 0.0289 47 H16 1.2482 1.6443 -2.8429 H 1 UNK 0.0289 48 H17 -1.9452 2.1906 -1.5866 H 1 UNK 0.0969 49 H18 -1.3936 -0.1502 -1.4070 H 1 UNK 0.0329 50 H19 -3.1392 0.1590 -1.1532 H 1 UNK 0.0329 51 H20 -2.8535 -0.1308 1.2110 H 1 UNK 0.0315 52 H21 -1.1347 -0.4967 0.9334 H 1 UNK 0.0315 53 H22 -4.5224 -1.7622 0.6222 H 1 UNK 0.0620 54 H23 -0.4426 -2.5813 0.0658 H 1 UNK 0.0620 55 H24 -5.1178 3.7841 0.6809 H 1 UNK 0.0694 56 H25 -5.2806 2.2576 1.5084 H 1 UNK 0.0694 57 H26 -5.0385 -4.1202 0.3289 H 1 UNK 0.0618 58 H27 -0.9537 -4.9401 -0.2285 H 1 UNK 0.0618 59 H28 -6.5175 2.9481 -1.1447 H 1 UNK 0.0262 60 H29 -7.3664 2.8699 0.3806 H 1 UNK 0.0262 61 H30 -6.6843 1.4194 -0.3150 H 1 UNK 0.0262 62 H31 -3.2525 -5.7070 -0.0964 H 1 UNK 0.0618 @BOND 1 1 15 2 2 2 16 ar 3 3 16 ar 4 4 21 1 5 4 26 1 6 5 21 2 7 6 9 1 8 6 13 1 9 6 15 am 10 7 17 1 11 7 19 1 12 8 9 1 13 8 10 1 14 8 11 1 15 9 12 1 16 10 13 1 17 11 14 1 18 12 14 1 19 13 16 1 20 15 17 1 21 17 18 1 22 19 20 1 23 19 21 1 24 20 22 1 25 22 23 1 26 23 24 ar 27 23 25 ar 28 24 27 ar 29 25 28 ar 30 26 29 1 31 27 30 ar 32 28 30 ar 33 7 31 1 34 7 32 1 35 8 33 1 36 9 34 1 37 10 35 1 38 10 36 1 39 11 37 1 40 11 38 1 41 12 39 1 42 12 40 1 43 13 41 1 44 14 42 1 45 14 43 1 46 17 44 1 47 18 45 1 48 18 46 1 49 18 47 1 50 19 48 1 51 20 49 1 52 20 50 1 53 22 51 1 54 22 52 1 55 24 53 1 56 25 54 1 57 26 55 1 58 26 56 1 59 27 57 1 60 28 58 1 61 29 59 1 62 29 60 1 63 29 61 1 64 30 62 1