@MOLECULE FDBD01237 67 70 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.6855 -3.3699 0.0247 O.3 1 UNK -0.3915 2 O1 5.6807 1.4528 2.3679 O.3 1 UNK -0.3918 3 O2 -7.3843 1.1684 -0.8260 O.co2 1 UNK -0.5498 4 O3 -6.4283 -0.8845 -0.6579 O.co2 1 UNK -0.5498 5 C -0.0620 -0.9320 0.4172 C.3 1 UNK -0.0299 6 C1 -1.0600 0.0790 -0.1942 C.3 1 UNK -0.0258 7 C2 1.2677 -1.0097 -0.3595 C.3 1 UNK -0.0083 8 C3 1.9218 0.4148 -0.3529 C.3 1 UNK -0.0299 9 C4 3.3176 0.4374 -1.0818 C.3 1 UNK -0.0258 10 C5 -2.2512 -0.1226 0.7744 C.3 1 UNK -0.0328 11 C6 4.2522 -0.6434 -0.4473 C.3 1 UNK -0.0307 12 C7 -0.4237 1.4727 -0.1317 C.3 1 UNK -0.0468 13 C8 0.9368 1.5082 -0.8461 C.3 1 UNK -0.0489 14 C9 2.2272 -2.0647 0.2252 C.3 1 UNK 0.0589 15 C10 -0.9115 -2.1869 0.6096 C.3 1 UNK -0.0491 16 C11 -2.3109 -1.6536 0.9664 C.3 1 UNK -0.0492 17 C12 3.6032 -2.0322 -0.4401 C.3 1 UNK -0.0232 18 C13 4.0268 1.8194 -0.9738 C.3 1 UNK -0.0448 19 C14 -1.4678 -0.2422 -1.6542 C.3 1 UNK -0.0590 20 C15 -3.5855 0.4731 0.3487 C.3 1 UNK -0.0402 21 C16 4.7255 -0.2665 0.9719 C.3 1 UNK -0.0234 22 C17 3.1553 0.1534 -2.5976 C.3 1 UNK -0.0590 23 C18 4.4630 2.1812 0.4405 C.3 1 UNK -0.0263 24 C19 5.3791 1.1112 1.0193 C.3 1 UNK 0.0555 25 C20 -4.6706 0.1483 1.3958 C.3 1 UNK -0.0451 26 C21 -3.4387 1.9814 0.1220 C.3 1 UNK -0.0621 27 C22 -6.0331 0.7706 1.0844 C.3 1 UNK -0.0130 28 C23 -6.6151 0.2361 -0.2049 C.2 1 UNK 0.0418 29 H 0.8090 -3.4230 0.4369 H 1 UNK 0.2098 30 H1 6.2645 0.7786 2.7494 H 1 UNK 0.2098 31 H2 0.3540 -0.6642 1.3659 H 1 UNK 0.0310 32 H3 1.0669 -1.3205 -1.3635 H 1 UNK 0.0331 33 H4 2.1368 0.6614 0.6659 H 1 UNK 0.0310 34 H5 -2.0819 0.4221 1.6797 H 1 UNK 0.0309 35 H6 5.1175 -0.6793 -1.0756 H 1 UNK 0.0308 36 H7 -0.2843 1.7447 0.8937 H 1 UNK 0.0271 37 H8 -1.0779 2.1608 -0.6250 H 1 UNK 0.0271 38 H9 0.7730 1.3690 -1.8943 H 1 UNK 0.0268 39 H10 1.3829 2.4561 -0.6283 H 1 UNK 0.0268 40 H11 2.3382 -1.8375 1.2649 H 1 UNK 0.0596 41 H12 -0.5223 -2.7890 1.4039 H 1 UNK 0.0268 42 H13 -0.9226 -2.8084 -0.2614 H 1 UNK 0.0268 43 H14 -3.0469 -2.0803 0.3174 H 1 UNK 0.0268 44 H15 -2.5816 -1.9102 1.9693 H 1 UNK 0.0268 45 H16 4.2487 -2.7039 0.0862 H 1 UNK 0.0293 46 H17 3.4630 -2.3169 -1.4620 H 1 UNK 0.0293 47 H18 3.3510 2.5728 -1.3209 H 1 UNK 0.0271 48 H19 4.9154 1.7594 -1.5669 H 1 UNK 0.0271 49 H20 -1.9114 -1.2151 -1.6948 H 1 UNK 0.0235 50 H21 -0.6002 -0.2194 -2.2801 H 1 UNK 0.0235 51 H22 -2.1733 0.4861 -1.9959 H 1 UNK 0.0235 52 H23 -3.8931 0.0359 -0.5782 H 1 UNK 0.0301 53 H24 5.4356 -0.9955 1.3024 H 1 UNK 0.0293 54 H25 3.8650 -0.2418 1.6074 H 1 UNK 0.0293 55 H26 2.6702 -0.7906 -2.7337 H 1 UNK 0.0235 56 H27 4.1194 0.1291 -3.0611 H 1 UNK 0.0235 57 H28 2.5643 0.9257 -3.0439 H 1 UNK 0.0235 58 H29 3.5964 2.2731 1.0613 H 1 UNK 0.0290 59 H30 4.9989 3.1067 0.4058 H 1 UNK 0.0290 60 H31 6.2733 1.0680 0.4332 H 1 UNK 0.0593 61 H32 -4.3422 0.5131 2.3466 H 1 UNK 0.0271 62 H33 -4.8033 -0.9134 1.3889 H 1 UNK 0.0271 63 H34 -3.1309 2.4507 1.0330 H 1 UNK 0.0233 64 H35 -4.3781 2.3884 -0.1892 H 1 UNK 0.0233 65 H36 -2.7046 2.1584 -0.6361 H 1 UNK 0.0233 66 H37 -5.9178 1.8309 0.9986 H 1 UNK 0.0325 67 H38 -6.7026 0.5188 1.8802 H 1 UNK 0.0325 @BOND 1 1 14 1 2 2 24 1 3 3 28 ar 4 4 28 ar 5 5 6 1 6 5 7 1 7 5 15 1 8 6 10 1 9 6 12 1 10 6 19 1 11 7 8 1 12 7 14 1 13 8 9 1 14 8 13 1 15 9 11 1 16 9 18 1 17 9 22 1 18 10 16 1 19 10 20 1 20 11 17 1 21 11 21 1 22 12 13 1 23 14 17 1 24 15 16 1 25 18 23 1 26 20 25 1 27 20 26 1 28 21 24 1 29 23 24 1 30 25 27 1 31 27 28 1 32 1 29 1 33 2 30 1 34 5 31 1 35 7 32 1 36 8 33 1 37 10 34 1 38 11 35 1 39 12 36 1 40 12 37 1 41 13 38 1 42 13 39 1 43 14 40 1 44 15 41 1 45 15 42 1 46 16 43 1 47 16 44 1 48 17 45 1 49 17 46 1 50 18 47 1 51 18 48 1 52 19 49 1 53 19 50 1 54 19 51 1 55 20 52 1 56 21 53 1 57 21 54 1 58 22 55 1 59 22 56 1 60 22 57 1 61 23 58 1 62 23 59 1 63 24 60 1 64 25 61 1 65 25 62 1 66 26 63 1 67 26 64 1 68 26 65 1 69 27 66 1 70 27 67 1