@MOLECULE FDBD00878 42 43 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.4717 -2.4998 -0.1791 O.3 1 UNK -0.4563 2 O1 1.1942 2.9361 -0.5120 O.3 1 UNK -0.4944 3 O2 -0.1139 -1.0962 1.7281 O.3 1 UNK -0.5055 4 O3 1.7867 -3.2666 1.2037 O.2 1 UNK -0.2448 5 O4 -3.6212 -2.6460 -0.9037 O.co2 1 UNK -0.5498 6 O5 -2.6038 -0.8967 -1.9344 O.co2 1 UNK -0.5498 7 C 2.7502 -0.3500 -0.4308 C.ar 1 UNK 0.0136 8 C1 0.5367 0.9221 0.6083 C.ar 1 UNK 0.0404 9 C2 1.8624 -1.0188 0.3870 C.ar 1 UNK 0.1074 10 C3 2.5461 0.9803 -0.7475 C.ar 1 UNK -0.0011 11 C4 1.4220 1.6219 -0.2182 C.ar 1 UNK 0.1303 12 C5 0.7421 -0.4139 0.9260 C.ar 1 UNK 0.1381 13 C6 -0.6696 1.6365 1.1691 C.3 1 UNK -0.0023 14 C7 3.8333 -1.2614 -0.8412 C.3 1 UNK 0.1191 15 C8 2.3174 -2.3902 0.5510 C.2 1 UNK 0.3435 16 C9 -1.8679 1.5274 0.2668 C.2 1 UNK -0.0805 17 C10 3.5040 1.7069 -1.6288 C.3 1 UNK -0.0358 18 C11 -3.0853 1.0319 0.5646 C.2 1 UNK -0.0759 19 C12 -4.2363 0.9298 -0.4099 C.3 1 UNK -0.0269 20 C13 -4.6493 -0.5201 -0.6676 C.3 1 UNK -0.0095 21 C14 -3.3680 0.5011 1.9465 C.3 1 UNK -0.0438 22 C15 1.7631 3.9012 0.3680 C.3 1 UNK 0.0788 23 C16 -3.5148 -1.3353 -1.2459 C.2 1 UNK 0.0420 24 H -0.8672 -0.6662 2.0826 H 1 UNK 0.2922 25 H1 -0.4282 2.6710 1.2970 H 1 UNK 0.0358 26 H2 -0.9190 1.1753 2.1018 H 1 UNK 0.0358 27 H3 3.8538 -1.3832 -1.9040 H 1 UNK 0.0749 28 H4 4.8090 -0.9081 -0.5801 H 1 UNK 0.0749 29 H5 -1.7428 1.8740 -0.6972 H 1 UNK 0.0575 30 H6 4.2892 1.0434 -1.9257 H 1 UNK 0.0279 31 H7 3.9203 2.5362 -1.0960 H 1 UNK 0.0279 32 H8 2.9901 2.0627 -2.4973 H 1 UNK 0.0279 33 H9 -3.9425 1.3744 -1.3378 H 1 UNK 0.0313 34 H10 -5.0747 1.4387 0.0180 H 1 UNK 0.0313 35 H11 -5.4681 -0.5293 -1.3564 H 1 UNK 0.0328 36 H12 -4.9278 -0.9569 0.2686 H 1 UNK 0.0328 37 H13 -2.4978 0.6173 2.5581 H 1 UNK 0.0274 38 H14 -3.6246 -0.5358 1.8847 H 1 UNK 0.0274 39 H15 -4.1823 1.0449 2.3778 H 1 UNK 0.0274 40 H16 1.5125 4.8846 0.0289 H 1 UNK 0.0660 41 H17 2.8271 3.7887 0.3809 H 1 UNK 0.0660 42 H18 1.3770 3.7552 1.3552 H 1 UNK 0.0660 @BOND 1 1 14 1 2 1 15 1 3 2 11 1 4 2 22 1 5 3 12 1 6 4 15 2 7 5 23 ar 8 6 23 ar 9 7 9 ar 10 7 10 ar 11 7 14 1 12 8 11 ar 13 8 12 ar 14 8 13 1 15 9 12 ar 16 9 15 1 17 10 11 ar 18 10 17 1 19 13 16 1 20 16 18 2 21 18 19 1 22 18 21 1 23 19 20 1 24 20 23 1 25 3 24 1 26 13 25 1 27 13 26 1 28 14 27 1 29 14 28 1 30 16 29 1 31 17 30 1 32 17 31 1 33 17 32 1 34 19 33 1 35 19 34 1 36 20 35 1 37 20 36 1 38 21 37 1 39 21 38 1 40 21 39 1 41 22 40 1 42 22 41 1 43 22 42 1