@MOLECULE FDBD01674 45 46 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.5971 -2.7666 1.2649 O.3 1 UNK -0.3806 2 O1 0.2530 1.4408 -0.3789 O.2 1 UNK -0.2065 3 O2 -4.3562 1.9341 0.3462 O.2 1 UNK -0.1526 4 O3 3.3963 3.3065 0.4322 O.3 1 UNK -0.3898 5 N -0.2998 -1.4974 -0.4812 N.ar 1 UNK -0.1645 6 N1 3.8479 -0.2796 -0.2993 N.4 1 UNK 0.2367 7 N2 -3.5111 -0.2180 0.0836 N.am 1 UNK -0.0525 8 N3 -2.0524 1.7130 -0.0150 N.am 1 UNK -0.0331 9 N4 -2.3398 -2.3600 -0.2275 N.ar 1 UNK -0.2495 10 C 1.9137 -1.5298 0.6217 C.3 1 UNK 0.1539 11 C1 1.1274 -1.4587 -0.6933 C.3 1 UNK 0.1837 12 C2 3.4298 -1.4863 0.4016 C.3 1 UNK 0.0007 13 C3 -1.1407 -0.4392 -0.2885 C.ar 1 UNK 0.4139 14 C4 -2.3817 -0.9946 -0.1358 C.ar 1 UNK 0.3717 15 C5 -1.0681 -2.6321 -0.4363 C.ar 1 UNK 0.2510 16 C6 3.4641 0.9156 0.4548 C.3 1 UNK -0.0083 17 C7 -0.8689 0.9610 -0.2411 C.2 1 UNK 0.4954 18 C8 -3.3862 1.1922 0.1531 C.2 1 UNK 0.6675 19 C9 5.2940 -0.2905 -0.5296 C.3 1 UNK -0.0429 20 C10 3.8003 2.1750 -0.3277 C.3 1 UNK 0.0841 21 C11 -4.8160 -0.8481 0.2417 C.3 1 UNK 0.1458 22 C12 -1.9027 3.1629 0.0546 C.3 1 UNK 0.1475 23 H 0.6401 -2.8172 1.4151 H 1 UNK 0.2103 24 H1 3.6062 4.1168 -0.0579 H 1 UNK 0.2096 25 H2 3.3755 -0.2585 -1.2031 H 1 UNK 0.2032 26 H3 -3.0894 -2.9940 -0.1541 H 1 UNK 0.1767 27 H4 1.6398 -0.6813 1.2132 H 1 UNK 0.0712 28 H5 1.3762 -0.5464 -1.1940 H 1 UNK 0.1060 29 H6 1.3942 -2.3123 -1.2807 H 1 UNK 0.1060 30 H7 3.9176 -1.5189 1.3534 H 1 UNK 0.0842 31 H8 3.6992 -2.3277 -0.2020 H 1 UNK 0.0842 32 H9 -0.6941 -3.5869 -0.5524 H 1 UNK 0.1600 33 H10 3.9923 0.9286 1.3853 H 1 UNK 0.0837 34 H11 2.4085 0.8893 0.6277 H 1 UNK 0.0837 35 H12 5.8047 -0.3127 0.4104 H 1 UNK 0.0778 36 H13 5.5761 0.5901 -1.0681 H 1 UNK 0.0778 37 H14 5.5579 -1.1569 -1.0994 H 1 UNK 0.0778 38 H15 4.8547 2.2181 -0.5045 H 1 UNK 0.0610 39 H16 3.2896 2.1667 -1.2679 H 1 UNK 0.0610 40 H17 -4.7117 -1.9098 0.1593 H 1 UNK 0.0990 41 H18 -5.4776 -0.4945 -0.5212 H 1 UNK 0.0990 42 H19 -5.2165 -0.6026 1.2031 H 1 UNK 0.0990 43 H20 -0.8739 3.4223 -0.0841 H 1 UNK 0.0991 44 H21 -2.2321 3.5099 1.0116 H 1 UNK 0.0991 45 H22 -2.4923 3.6196 -0.7127 H 1 UNK 0.0991 @BOND 1 1 10 1 2 2 17 2 3 3 18 2 4 4 20 1 5 5 11 1 6 5 13 ar 7 5 15 ar 8 6 12 1 9 6 16 1 10 6 19 1 11 7 14 1 12 7 18 am 13 7 21 1 14 8 17 am 15 8 18 am 16 8 22 1 17 9 14 ar 18 9 15 ar 19 10 11 1 20 10 12 1 21 13 14 ar 22 13 17 1 23 16 20 1 24 1 23 1 25 4 24 1 26 6 25 1 27 9 26 1 28 10 27 1 29 11 28 1 30 11 29 1 31 12 30 1 32 12 31 1 33 15 32 1 34 16 33 1 35 16 34 1 36 19 35 1 37 19 36 1 38 19 37 1 39 20 38 1 40 20 39 1 41 21 40 1 42 21 41 1 43 21 42 1 44 22 43 1 45 22 44 1 46 22 45 1