@MOLECULE FDBD00081 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.3001 -0.0961 3.4236 O.2 1 UNK -0.2747 2 N -3.8311 0.3552 -0.4995 N.4 1 UNK 0.2288 3 N1 3.0729 -0.3912 1.9869 N.am 1 UNK -0.3283 4 C 0.8701 -0.0412 1.0691 C.3 1 UNK 0.0977 5 C1 -0.5981 0.0807 1.4799 C.3 1 UNK -0.0261 6 C2 1.3147 1.1406 0.2099 C.ar 1 UNK -0.0204 7 C3 1.0958 -1.2109 0.1135 C.ar 1 UNK -0.0204 8 C4 1.7452 0.6920 -1.0596 C.ar 1 UNK -0.0131 9 C5 1.6114 -0.7476 -1.1185 C.ar 1 UNK -0.0131 10 C6 -1.5077 0.1658 0.2578 C.3 1 UNK -0.0110 11 C7 1.7466 -0.1815 2.2823 C.2 1 UNK 0.2254 12 C8 -2.9744 0.2538 0.6760 C.3 1 UNK -0.0334 13 C9 1.3331 2.4881 0.5381 C.ar 1 UNK -0.0567 14 C10 0.8632 -2.5607 0.3307 C.ar 1 UNK -0.0567 15 C11 2.1981 1.5928 -2.0103 C.ar 1 UNK -0.0537 16 C12 1.8978 -1.6360 -2.1427 C.ar 1 UNK -0.0537 17 C13 1.7895 3.3947 -0.4203 C.ar 1 UNK -0.0614 18 C14 1.1519 -3.4549 -0.7017 C.ar 1 UNK -0.0614 19 C15 2.2178 2.9514 -1.6821 C.ar 1 UNK -0.0612 20 C16 1.6645 -2.9970 -1.9264 C.ar 1 UNK -0.0612 21 C17 -5.2336 0.4296 -0.1152 C.3 1 UNK -0.0284 22 C18 -5.6330 -0.8150 0.6726 C.3 1 UNK -0.0219 23 C19 -6.0947 0.5873 -1.3643 C.3 1 UNK -0.0219 24 H -3.6892 -0.4657 -1.0880 H 1 UNK 0.2016 25 H1 -3.5870 1.2048 -1.0084 H 1 UNK 0.2016 26 H2 3.7285 -0.4959 2.7138 H 1 UNK 0.1450 27 H3 3.3670 -0.4366 1.0484 H 1 UNK 0.1450 28 H4 -0.7231 0.9643 2.0703 H 1 UNK 0.0283 29 H5 -0.8661 -0.7895 2.0418 H 1 UNK 0.0283 30 H6 -1.3670 -0.7068 -0.3453 H 1 UNK 0.0317 31 H7 -1.2561 1.0465 -0.2954 H 1 UNK 0.0317 32 H8 -3.2368 -0.6236 1.2293 H 1 UNK 0.0814 33 H9 -3.1115 1.1246 1.2825 H 1 UNK 0.0814 34 H10 1.0178 2.8118 1.4659 H 1 UNK 0.0621 35 H11 0.4867 -2.8952 1.2315 H 1 UNK 0.0621 36 H12 2.5132 1.2685 -2.9380 H 1 UNK 0.0624 37 H13 2.2742 -1.3009 -3.0433 H 1 UNK 0.0624 38 H14 1.8124 4.4024 -0.1990 H 1 UNK 0.0618 39 H15 0.9867 -4.4642 -0.5633 H 1 UNK 0.0618 40 H16 2.5516 3.6380 -2.3765 H 1 UNK 0.0618 41 H17 1.8717 -3.6745 -2.6767 H 1 UNK 0.0618 42 H18 -5.3862 1.2799 0.5161 H 1 UNK 0.0845 43 H19 -5.4903 -1.6834 0.0640 H 1 UNK 0.0284 44 H20 -6.6624 -0.7430 0.9555 H 1 UNK 0.0284 45 H21 -5.0263 -0.8913 1.5507 H 1 UNK 0.0284 46 H22 -5.9515 -0.2575 -2.0052 H 1 UNK 0.0284 47 H23 -5.8118 1.4799 -1.8821 H 1 UNK 0.0284 48 H24 -7.1248 0.6501 -1.0818 H 1 UNK 0.0284 @BOND 1 1 11 2 2 2 12 1 3 2 21 1 4 3 11 am 5 4 5 1 6 4 6 1 7 4 7 1 8 4 11 1 9 5 10 1 10 6 8 ar 11 6 13 ar 12 7 9 ar 13 7 14 ar 14 8 9 1 15 8 15 ar 16 9 16 ar 17 10 12 1 18 13 17 ar 19 14 18 ar 20 15 19 ar 21 16 20 ar 22 17 19 ar 23 18 20 ar 24 21 22 1 25 21 23 1 26 2 24 1 27 2 25 1 28 3 26 1 29 3 27 1 30 5 28 1 31 5 29 1 32 10 30 1 33 10 31 1 34 12 32 1 35 12 33 1 36 13 34 1 37 14 35 1 38 15 36 1 39 16 37 1 40 17 38 1 41 18 39 1 42 19 40 1 43 20 41 1 44 21 42 1 45 22 43 1 46 22 44 1 47 22 45 1 48 23 46 1 49 23 47 1 50 23 48 1