@MOLECULE FDBD00952 47 48 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.2944 1.9247 -1.4209 O.3 1 UNK -0.3819 2 O1 6.1604 -2.3805 -1.2417 O.3 1 UNK -0.5033 3 O2 7.9753 -1.6052 0.7158 O.3 1 UNK -0.5033 4 O3 -8.8614 -1.8056 0.3989 O.3 1 UNK -0.5068 5 N 0.7922 1.2844 -0.1473 N.4 1 UNK 0.2291 6 C -1.6573 1.2884 -0.2274 C.3 1 UNK -0.0123 7 C1 -2.9193 0.4350 -0.0821 C.3 1 UNK -0.0443 8 C2 -0.3972 0.4516 -0.0134 C.3 1 UNK -0.0336 9 C3 2.0011 0.5010 0.0644 C.3 1 UNK -0.0028 10 C4 -4.1834 1.2787 -0.2609 C.3 1 UNK -0.0275 11 C5 3.2521 1.3715 -0.1062 C.3 1 UNK 0.1198 12 C6 -5.4329 0.4543 -0.0846 C.ar 1 UNK -0.0471 13 C7 4.5177 0.5715 0.1111 C.ar 1 UNK -0.0104 14 C8 4.7551 -0.5442 -0.6729 C.ar 1 UNK -0.0107 15 C9 5.4106 0.9720 1.0900 C.ar 1 UNK -0.0523 16 C10 -5.9991 -0.1692 -1.1863 C.ar 1 UNK -0.0551 17 C11 -5.9967 0.3336 1.1768 C.ar 1 UNK -0.0551 18 C12 5.9215 -1.2822 -0.4719 C.ar 1 UNK 0.1586 19 C13 6.5770 0.2341 1.2911 C.ar 1 UNK -0.0162 20 C14 -7.1559 -0.9312 -1.0229 C.ar 1 UNK -0.0199 21 C15 -7.1535 -0.4286 1.3401 C.ar 1 UNK -0.0199 22 C16 6.8325 -0.8931 0.5101 C.ar 1 UNK 0.1582 23 C17 -7.7332 -1.0610 0.2403 C.ar 1 UNK 0.1169 24 H 2.4897 2.4425 -1.5799 H 1 UNK 0.2105 25 H1 5.5432 -2.6350 -1.8992 H 1 UNK 0.2923 26 H2 8.1547 -2.3636 0.1957 H 1 UNK 0.2923 27 H3 -9.2503 -2.2302 -0.3403 H 1 UNK 0.2921 28 H4 0.7546 2.0339 0.5435 H 1 UNK 0.2014 29 H5 0.8151 1.6707 -1.0910 H 1 UNK 0.2014 30 H6 -1.6819 2.0743 0.4983 H 1 UNK 0.0317 31 H7 -1.6326 1.6909 -1.2185 H 1 UNK 0.0317 32 H8 -2.9305 -0.0079 0.8918 H 1 UNK 0.0270 33 H9 -2.9064 -0.3197 -0.8405 H 1 UNK 0.0270 34 H10 -0.4199 0.0237 0.9671 H 1 UNK 0.0814 35 H11 -0.3645 -0.3231 -0.7508 H 1 UNK 0.0814 36 H12 2.0302 -0.2979 -0.6468 H 1 UNK 0.0843 37 H13 1.9874 0.1125 1.0613 H 1 UNK 0.0843 38 H14 -4.1823 1.7010 -1.2440 H 1 UNK 0.0313 39 H15 -4.1813 2.0454 0.4855 H 1 UNK 0.0313 40 H16 3.1967 2.1500 0.6258 H 1 UNK 0.0698 41 H17 4.0770 -0.8267 -1.3977 H 1 UNK 0.0659 42 H18 5.2156 1.8069 1.6644 H 1 UNK 0.0622 43 H19 -5.5683 -0.0703 -2.1189 H 1 UNK 0.0621 44 H20 -5.5642 0.8035 1.9874 H 1 UNK 0.0621 45 H21 7.2510 0.5220 2.0177 H 1 UNK 0.0655 46 H22 -7.5848 -1.3990 -1.8367 H 1 UNK 0.0654 47 H23 -7.5805 -0.5246 2.2747 H 1 UNK 0.0654 @BOND 1 1 11 1 2 2 18 1 3 3 22 1 4 4 23 1 5 5 8 1 6 5 9 1 7 6 7 1 8 6 8 1 9 7 10 1 10 9 11 1 11 10 12 1 12 11 13 1 13 12 16 ar 14 12 17 ar 15 13 14 ar 16 13 15 ar 17 14 18 ar 18 15 19 ar 19 16 20 ar 20 17 21 ar 21 18 22 ar 22 19 22 ar 23 20 23 ar 24 21 23 ar 25 1 24 1 26 2 25 1 27 3 26 1 28 4 27 1 29 5 28 1 30 5 29 1 31 6 30 1 32 6 31 1 33 7 32 1 34 7 33 1 35 8 34 1 36 8 35 1 37 9 36 1 38 9 37 1 39 10 38 1 40 10 39 1 41 11 40 1 42 14 41 1 43 15 42 1 44 16 43 1 45 17 44 1 46 19 45 1 47 20 46 1 48 21 47 1