@MOLECULE FDBD01621 68 70 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.4945 1.6099 0.3855 O.3 1 UNK -0.4802 2 O1 3.9967 -0.0477 0.1713 O.3 1 UNK -0.4802 3 O2 -2.9637 5.1256 -0.1042 O.co2 1 UNK -0.5457 4 O3 -4.6828 3.9303 0.7542 O.co2 1 UNK -0.5457 5 O4 5.2913 3.2989 0.2461 O.co2 1 UNK -0.5457 6 O5 5.8914 1.3892 1.3015 O.co2 1 UNK -0.5457 7 C -1.0604 -2.6808 0.0709 C.3 1 UNK 0.0208 8 C1 -0.9730 -3.9745 -0.8160 C.3 1 UNK -0.0393 9 C2 -1.5703 -3.1795 1.4717 C.3 1 UNK -0.0393 10 C3 -0.1018 -5.0793 -0.2155 C.3 1 UNK -0.0520 11 C4 -0.7615 -4.3290 2.0854 C.3 1 UNK -0.0520 12 C5 -0.6329 -5.5135 1.1413 C.3 1 UNK -0.0530 13 C6 -2.1083 -1.6655 -0.4703 C.ar 1 UNK -0.0334 14 C7 0.3155 -1.9639 0.0985 C.ar 1 UNK -0.0367 15 C8 -2.3346 -0.4679 0.2081 C.ar 1 UNK -0.0159 16 C9 0.7161 -1.2659 1.2378 C.ar 1 UNK -0.0543 17 C10 1.1520 -2.0178 -1.0164 C.ar 1 UNK -0.0543 18 C11 -2.8217 -1.9537 -1.6338 C.ar 1 UNK -0.0575 19 C12 -3.2743 0.4416 -0.2770 C.ar 1 UNK 0.1221 20 C13 1.9531 -0.6217 1.2621 C.ar 1 UNK -0.0196 21 C14 2.3889 -1.3736 -0.9922 C.ar 1 UNK -0.0196 22 C15 -3.7614 -1.0441 -2.1188 C.ar 1 UNK -0.0580 23 C16 2.7894 -0.6755 0.1471 C.ar 1 UNK 0.1219 24 C17 -3.9878 0.1534 -1.4404 C.ar 1 UNK -0.0199 25 C18 -2.6963 2.7307 0.0078 C.3 1 UNK 0.1463 26 C19 4.0324 1.3078 -0.2732 C.3 1 UNK 0.1463 27 C20 -1.4566 2.7558 0.9179 C.3 1 UNK -0.0106 28 C21 4.3621 1.3037 -1.7756 C.3 1 UNK -0.0106 29 C22 -2.3612 2.5966 -1.4773 C.3 1 UNK -0.0195 30 C23 2.6855 1.9511 0.0548 C.3 1 UNK -0.0195 31 C24 -3.5603 3.9631 0.2638 C.2 1 UNK 0.0847 32 C25 5.1611 1.9738 0.5099 C.2 1 UNK 0.0847 33 C26 -1.7742 2.7651 2.4090 C.3 1 UNK -0.0613 34 C27 5.6424 0.5576 -2.1340 C.3 1 UNK -0.0613 35 H -0.5655 -3.7038 -1.7676 H 1 UNK 0.0277 36 H1 -1.9654 -4.3675 -0.8911 H 1 UNK 0.0277 37 H2 -2.5819 -3.5092 1.3583 H 1 UNK 0.0277 38 H3 -1.4654 -2.3505 2.1401 H 1 UNK 0.0277 39 H4 0.8971 -4.7135 -0.0998 H 1 UNK 0.0266 40 H5 -0.1177 -5.9225 -0.8741 H 1 UNK 0.0266 41 H6 -1.2500 -4.6539 2.9802 H 1 UNK 0.0266 42 H7 0.2237 -3.9639 2.2880 H 1 UNK 0.0266 43 H8 0.0401 -6.2280 1.5673 H 1 UNK 0.0265 44 H9 -1.6026 -5.9443 1.0038 H 1 UNK 0.0265 45 H10 -1.8068 -0.2548 1.0689 H 1 UNK 0.0657 46 H11 0.0973 -1.2261 2.0627 H 1 UNK 0.0622 47 H12 0.8557 -2.5344 -1.8593 H 1 UNK 0.0622 48 H13 -2.6543 -2.8398 -2.1357 H 1 UNK 0.0621 49 H14 2.2495 -0.1053 2.1050 H 1 UNK 0.0654 50 H15 3.0077 -1.4134 -1.8171 H 1 UNK 0.0654 51 H16 -4.2892 -1.2572 -2.9797 H 1 UNK 0.0619 52 H17 -4.6832 0.8262 -1.7992 H 1 UNK 0.0654 53 H18 -0.8912 3.6352 0.6901 H 1 UNK 0.0305 54 H19 -0.9160 1.8528 0.7250 H 1 UNK 0.0305 55 H20 4.4636 2.3185 -2.0993 H 1 UNK 0.0305 56 H21 3.5606 0.7900 -2.2642 H 1 UNK 0.0305 57 H22 -1.7564 1.7271 -1.6294 H 1 UNK 0.0272 58 H23 -1.8262 3.4645 -1.8020 H 1 UNK 0.0272 59 H24 -3.2664 2.5043 -2.0403 H 1 UNK 0.0272 60 H25 1.9132 1.4672 -0.5058 H 1 UNK 0.0272 61 H26 2.7146 2.9897 -0.2010 H 1 UNK 0.0272 62 H27 2.4857 1.8468 1.1008 H 1 UNK 0.0272 63 H28 -2.3176 3.6541 2.6524 H 1 UNK 0.0231 64 H29 -0.8622 2.7402 2.9681 H 1 UNK 0.0231 65 H30 -2.3657 1.9075 2.6530 H 1 UNK 0.0231 66 H31 6.4771 1.0363 -1.6660 H 1 UNK 0.0231 67 H32 5.7752 0.5667 -3.1957 H 1 UNK 0.0231 68 H33 5.5735 -0.4539 -1.7918 H 1 UNK 0.0231 @BOND 1 1 19 1 2 1 25 1 3 2 23 1 4 2 26 1 5 3 31 ar 6 4 31 ar 7 5 32 ar 8 6 32 ar 9 7 8 1 10 7 9 1 11 7 13 1 12 7 14 1 13 8 10 1 14 9 11 1 15 10 12 1 16 11 12 1 17 13 15 ar 18 13 18 ar 19 14 16 ar 20 14 17 ar 21 15 19 ar 22 16 20 ar 23 17 21 ar 24 18 22 ar 25 19 24 ar 26 20 23 ar 27 21 23 ar 28 22 24 ar 29 25 27 1 30 25 29 1 31 25 31 1 32 26 28 1 33 26 30 1 34 26 32 1 35 27 33 1 36 28 34 1 37 8 35 1 38 8 36 1 39 9 37 1 40 9 38 1 41 10 39 1 42 10 40 1 43 11 41 1 44 11 42 1 45 12 43 1 46 12 44 1 47 15 45 1 48 16 46 1 49 17 47 1 50 18 48 1 51 20 49 1 52 21 50 1 53 22 51 1 54 24 52 1 55 27 53 1 56 27 54 1 57 28 55 1 58 28 56 1 59 29 57 1 60 29 58 1 61 29 59 1 62 30 60 1 63 30 61 1 64 30 62 1 65 33 63 1 66 33 64 1 67 33 65 1 68 34 66 1 69 34 67 1 70 34 68 1