@MOLECULE FDBD01329 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.1525 -2.0472 0.2632 O.2 1 UNK -0.2967 2 O1 -3.4368 -2.2015 -0.4921 O.3 1 UNK -0.4914 3 O2 -4.7281 -0.2002 0.9361 O.3 1 UNK -0.4914 4 N 1.2149 1.8266 -0.5154 N.4 1 UNK 0.2417 5 C 0.4822 0.7351 -1.2050 C.3 1 UNK 0.0122 6 C1 2.7194 0.2454 0.7137 C.3 1 UNK 0.0579 7 C2 1.7447 1.4253 0.7992 C.3 1 UNK -0.0216 8 C3 1.4269 -0.4663 -1.3891 C.3 1 UNK 0.0537 9 C4 0.3675 3.0215 -0.4315 C.3 1 UNK -0.0272 10 C5 -0.8914 0.4454 -0.5995 C.ar 1 UNK 0.0076 11 C6 2.0757 -0.8704 -0.0854 C.2 1 UNK 0.1471 12 C7 4.0600 0.6276 0.0937 C.3 1 UNK -0.0363 13 C8 -0.9195 2.8016 0.3665 C.3 1 UNK 0.0133 14 C9 -1.5702 1.4655 0.1031 C.ar 1 UNK -0.0302 15 C10 5.0926 -0.5110 0.1182 C.3 1 UNK -0.0459 16 C11 -1.5533 -0.7763 -0.8013 C.ar 1 UNK -0.0075 17 C12 -2.8528 1.2304 0.6233 C.ar 1 UNK -0.0125 18 C13 5.3656 -1.0212 1.5338 C.3 1 UNK -0.0626 19 C14 4.6099 -1.6652 -0.7635 C.3 1 UNK -0.0626 20 C15 -2.8323 -0.9973 -0.2844 C.ar 1 UNK 0.1620 21 C16 -3.4803 0.0032 0.4306 C.ar 1 UNK 0.1618 22 C17 -3.2163 -3.2148 0.4867 C.3 1 UNK 0.0790 23 C18 -5.8310 0.1436 0.0992 C.3 1 UNK 0.0790 24 H 2.0372 2.0500 -1.0761 H 1 UNK 0.2040 25 H1 0.2046 1.0471 -2.1901 H 1 UNK 0.0908 26 H2 2.9263 -0.0780 1.7125 H 1 UNK 0.0430 27 H3 0.9246 1.1460 1.4272 H 1 UNK 0.0821 28 H4 2.2840 2.2596 1.1967 H 1 UNK 0.0821 29 H5 2.1912 -0.2025 -2.0899 H 1 UNK 0.0401 30 H6 0.8496 -1.2937 -1.7456 H 1 UNK 0.0401 31 H7 0.1036 3.3200 -1.4245 H 1 UNK 0.0818 32 H8 0.9316 3.7723 0.0813 H 1 UNK 0.0818 33 H9 4.4594 1.4590 0.6360 H 1 UNK 0.0276 34 H10 3.8762 0.8643 -0.9335 H 1 UNK 0.0276 35 H11 -1.6142 3.5734 0.1083 H 1 UNK 0.0365 36 H12 -0.6549 2.8240 1.4030 H 1 UNK 0.0365 37 H13 6.0120 -0.1164 -0.2612 H 1 UNK 0.0296 38 H14 -1.0875 -1.5231 -1.3402 H 1 UNK 0.0660 39 H15 -3.3343 1.9738 1.1530 H 1 UNK 0.0658 40 H16 4.4651 -1.4249 1.9473 H 1 UNK 0.0232 41 H17 5.7072 -0.2120 2.1449 H 1 UNK 0.0232 42 H18 6.1156 -1.7836 1.4997 H 1 UNK 0.0232 43 H19 3.6909 -2.0510 -0.3744 H 1 UNK 0.0232 44 H20 5.3473 -2.4405 -0.7714 H 1 UNK 0.0232 45 H21 4.4541 -1.3110 -1.7611 H 1 UNK 0.0232 46 H22 -3.7429 -4.1028 0.2056 H 1 UNK 0.0660 47 H23 -3.5711 -2.8756 1.4375 H 1 UNK 0.0660 48 H24 -2.1694 -3.4264 0.5515 H 1 UNK 0.0660 49 H25 -6.7466 -0.0638 0.6126 H 1 UNK 0.0660 50 H26 -5.7886 -0.4327 -0.8013 H 1 UNK 0.0660 51 H27 -5.7850 1.1852 -0.1414 H 1 UNK 0.0660 @BOND 1 1 11 2 2 2 20 1 3 2 22 1 4 3 21 1 5 3 23 1 6 4 5 1 7 4 7 1 8 4 9 1 9 5 8 1 10 5 10 1 11 6 7 1 12 6 11 1 13 6 12 1 14 8 11 1 15 9 13 1 16 10 14 ar 17 10 16 ar 18 12 15 1 19 13 14 1 20 14 17 ar 21 15 18 1 22 15 19 1 23 16 20 ar 24 17 21 ar 25 20 21 ar 26 4 24 1 27 5 25 1 28 6 26 1 29 7 27 1 30 7 28 1 31 8 29 1 32 8 30 1 33 9 31 1 34 9 32 1 35 12 33 1 36 12 34 1 37 13 35 1 38 13 36 1 39 15 37 1 40 16 38 1 41 17 39 1 42 18 40 1 43 18 41 1 44 18 42 1 45 19 43 1 46 19 44 1 47 19 45 1 48 22 46 1 49 22 47 1 50 22 48 1 51 23 49 1 52 23 50 1 53 23 51 1