@MOLECULE FDBD00857 48 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0176 -2.3878 0.7642 O.3 1 UNK -0.4884 2 O1 1.0567 -2.9748 -0.6253 O.3 1 UNK -0.4884 3 O2 -2.0137 -4.9343 -0.3633 O.3 1 UNK -0.3850 4 O3 -2.4532 2.4412 0.7960 O.2 1 UNK -0.2025 5 O4 3.2369 1.3506 -0.8435 O.2 1 UNK -0.2025 6 O5 -2.7254 -1.0003 -1.3759 O.co2 1 UNK -0.8282 7 O6 2.2658 -1.8747 1.4564 O.co2 1 UNK -0.8282 8 O7 -2.9462 4.7023 -0.2480 O.co2 1 UNK -0.5377 9 O8 4.5465 3.3050 0.1107 O.co2 1 UNK -0.5377 10 O9 -3.4332 3.8643 -2.3194 O.co2 1 UNK -0.5377 11 O10 4.7305 2.4163 2.2099 O.co2 1 UNK -0.5377 12 C -0.7956 -4.3435 0.0956 C.3 1 UNK 0.1229 13 C1 -1.1339 -3.4001 1.2425 C.3 1 UNK 0.1186 14 C2 -0.1450 -3.5992 -1.0649 C.3 1 UNK 0.1186 15 C3 -1.9615 -1.1748 1.3810 C.ar 1 UNK 0.1358 16 C4 1.4409 -1.8416 -1.2913 C.ar 1 UNK 0.1358 17 C5 -2.2512 0.0202 0.7188 C.ar 1 UNK 0.1078 18 C6 2.1603 -0.8219 -0.6730 C.ar 1 UNK 0.1078 19 C7 -2.1789 1.2378 1.3977 C.ar 1 UNK 0.3661 20 C8 2.5278 0.3134 -1.3974 C.ar 1 UNK 0.3661 21 C9 -1.5986 -1.1436 2.7282 C.ar 1 UNK -0.0188 22 C10 1.0873 -1.7303 -2.6330 C.ar 1 UNK -0.0188 23 C11 -2.6371 0.0178 -0.7034 C.ar 1 UNK -0.1119 24 C12 2.5453 -0.9188 0.7461 C.ar 1 UNK -0.1119 25 C13 -1.8156 1.2655 2.7441 C.ar 1 UNK 0.0433 26 C14 2.1746 0.4278 -2.7420 C.ar 1 UNK 0.0433 27 C15 -1.5257 0.0732 3.4081 C.ar 1 UNK -0.0494 28 C16 1.4540 -0.5955 -3.3585 C.ar 1 UNK -0.0494 29 C17 -2.9223 1.3366 -1.3038 C.ar 1 UNK 0.0324 30 C18 3.3067 0.2218 1.2942 C.ar 1 UNK 0.0324 31 C19 -2.8132 2.4233 -0.5334 C.ar 1 UNK 0.3777 32 C20 3.5902 1.2459 0.4836 C.ar 1 UNK 0.3777 33 C21 -3.1026 3.7165 -1.1564 C.2 1 UNK 0.1723 34 C22 4.3468 2.3618 1.0552 C.2 1 UNK 0.1723 35 H -2.4371 -5.4113 0.3675 H 1 UNK 0.2101 36 H1 -0.1062 -5.0828 0.4462 H 1 UNK 0.0661 37 H2 -1.6081 -3.9478 2.0299 H 1 UNK 0.0724 38 H3 -0.2383 -2.9509 1.6180 H 1 UNK 0.0724 39 H4 0.0808 -4.2916 -1.8488 H 1 UNK 0.0724 40 H5 -0.8193 -2.8514 -1.4270 H 1 UNK 0.0724 41 H6 -1.3834 -2.0231 3.2234 H 1 UNK 0.0654 42 H7 0.5545 -2.4862 -3.0910 H 1 UNK 0.0654 43 H8 -1.7614 2.1648 3.2474 H 1 UNK 0.0711 44 H9 2.4454 1.2665 -3.2789 H 1 UNK 0.0711 45 H10 -1.2567 0.0910 4.4043 H 1 UNK 0.0622 46 H11 1.1915 -0.5133 -4.3532 H 1 UNK 0.0622 47 H12 -3.1993 1.4172 -2.2947 H 1 UNK 0.0702 48 H13 3.6126 0.2279 2.2798 H 1 UNK 0.0702 @BOND 1 1 13 1 2 1 15 1 3 2 14 1 4 2 16 1 5 3 12 1 6 4 19 ar 7 4 31 ar 8 5 20 ar 9 5 32 ar 10 6 23 0 11 7 24 0 12 8 33 ar 13 9 34 ar 14 10 33 ar 15 11 34 ar 16 12 13 1 17 12 14 1 18 15 17 ar 19 15 21 ar 20 16 18 ar 21 16 22 ar 22 17 19 ar 23 17 23 ar 24 18 20 ar 25 18 24 ar 26 19 25 ar 27 20 26 ar 28 21 27 ar 29 22 28 ar 30 23 29 ar 31 24 30 ar 32 25 27 ar 33 26 28 ar 34 29 31 ar 35 30 32 ar 36 31 33 1 37 32 34 1 38 3 35 1 39 12 36 1 40 13 37 1 41 13 38 1 42 14 39 1 43 14 40 1 44 21 41 1 45 22 42 1 46 25 43 1 47 26 44 1 48 27 45 1 49 28 46 1 50 29 47 1 51 30 48 1