@MOLECULE FDBD00669 48 48 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.5215 0.4055 -0.1367 O.3 1 UNK -0.4558 2 O1 -4.6304 -0.2906 0.7613 O.3 1 UNK -0.4901 3 O2 0.9373 2.6183 -0.3843 O.2 1 UNK -0.2450 4 N 5.1241 -0.2737 -0.5186 N.4 1 UNK 0.2372 5 N1 -2.5397 -2.1740 0.7640 N.pl3 1 UNK -0.3551 6 C 3.7087 -0.5524 -0.2782 C.3 1 UNK 0.0032 7 C1 5.7492 0.2730 0.6852 C.3 1 UNK -0.0347 8 C2 5.8180 -1.4870 -0.9490 C.3 1 UNK -0.0347 9 C3 2.8887 0.7252 -0.3591 C.3 1 UNK 0.1323 10 C4 7.2057 0.6259 0.4355 C.3 1 UNK -0.0245 11 C5 5.7767 -2.5552 0.1306 C.3 1 UNK -0.0245 12 C6 -0.7396 0.9856 0.0708 C.ar 1 UNK 0.0610 13 C7 0.6487 1.4499 -0.1768 C.2 1 UNK 0.3394 14 C8 -3.3487 0.1144 0.5359 C.ar 1 UNK 0.1411 15 C9 -2.2974 -0.8024 0.5330 C.ar 1 UNK 0.0676 16 C10 -0.9929 -0.3668 0.3003 C.ar 1 UNK -0.0235 17 C11 -1.7910 1.9024 0.0738 C.ar 1 UNK -0.0442 18 C12 -5.5797 -0.0405 -0.2729 C.3 1 UNK 0.0894 19 C13 -3.0955 1.4669 0.3062 C.ar 1 UNK -0.0173 20 C14 -6.6606 -1.1091 -0.2174 C.3 1 UNK -0.0215 21 C15 -7.7031 -0.9151 -1.3038 C.3 1 UNK -0.0622 22 H 5.1949 0.4202 -1.2628 H 1 UNK 0.2034 23 H1 -3.4571 -2.4908 0.9292 H 1 UNK 0.1424 24 H2 -1.7913 -2.8136 0.7599 H 1 UNK 0.1424 25 H3 3.5955 -0.9814 0.6955 H 1 UNK 0.0848 26 H4 3.3600 -1.2332 -1.0264 H 1 UNK 0.0848 27 H5 5.6955 -0.4548 1.4677 H 1 UNK 0.0812 28 H6 5.2272 1.1647 0.9632 H 1 UNK 0.0812 29 H7 6.8384 -1.2478 -1.1646 H 1 UNK 0.0812 30 H8 5.3275 -1.8669 -1.8208 H 1 UNK 0.0812 31 H9 3.2229 1.4152 0.3873 H 1 UNK 0.0752 32 H10 3.0057 1.1724 -1.3241 H 1 UNK 0.0752 33 H11 7.7435 -0.2559 0.1559 H 1 UNK 0.0281 34 H12 7.6314 1.0355 1.3276 H 1 UNK 0.0281 35 H13 7.2680 1.3466 -0.3529 H 1 UNK 0.0281 36 H14 6.2637 -2.1914 1.0111 H 1 UNK 0.0281 37 H15 6.2787 -3.4337 -0.2175 H 1 UNK 0.0281 38 H16 4.7586 -2.7929 0.3584 H 1 UNK 0.0281 39 H17 -0.2151 -1.0451 0.2979 H 1 UNK 0.0645 40 H18 -1.6036 2.9029 -0.0959 H 1 UNK 0.0627 41 H19 -5.0913 -0.0725 -1.2244 H 1 UNK 0.0696 42 H20 -6.0179 0.9262 -0.1372 H 1 UNK 0.0696 43 H21 -3.8733 2.1451 0.3082 H 1 UNK 0.0655 44 H22 -7.1427 -1.0646 0.7368 H 1 UNK 0.0295 45 H23 -6.1952 -2.0605 -0.3698 H 1 UNK 0.0295 46 H24 -8.1834 0.0319 -1.1722 H 1 UNK 0.0231 47 H25 -8.4318 -1.6962 -1.2424 H 1 UNK 0.0231 48 H26 -7.2288 -0.9443 -2.2625 H 1 UNK 0.0231 @BOND 1 1 9 1 2 1 13 1 3 2 14 1 4 2 18 1 5 3 13 2 6 4 6 1 7 4 7 1 8 4 8 1 9 5 15 1 10 6 9 1 11 7 10 1 12 8 11 1 13 12 13 1 14 12 16 ar 15 12 17 ar 16 14 15 ar 17 14 19 ar 18 15 16 ar 19 17 19 ar 20 18 20 1 21 20 21 1 22 4 22 1 23 5 23 1 24 5 24 1 25 6 25 1 26 6 26 1 27 7 27 1 28 7 28 1 29 8 29 1 30 8 30 1 31 9 31 1 32 9 32 1 33 10 33 1 34 10 34 1 35 10 35 1 36 11 36 1 37 11 37 1 38 11 38 1 39 16 39 1 40 17 40 1 41 18 41 1 42 18 42 1 43 19 43 1 44 20 44 1 45 20 45 1 46 21 46 1 47 21 47 1 48 21 48 1