@MOLECULE FDBD00399 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4158 -1.4991 -0.9374 O.3 1 UNK -0.4860 2 O1 -3.7833 0.8252 -0.2670 O.3 1 UNK -0.4860 3 O2 -4.3506 -2.6934 0.6983 O.3 1 UNK -0.3796 4 O3 -6.5545 0.9800 0.1072 O.3 1 UNK -0.3796 5 N 2.4826 -0.1680 -1.0535 N.pl3 1 UNK -0.2988 6 N1 0.3264 3.2230 -0.0628 N.ar 1 UNK -0.2352 7 N2 2.4221 2.1199 -0.5078 N.ar 1 UNK -0.2200 8 C 0.3443 0.8892 -0.6153 C.ar 1 UNK 0.0441 9 C1 -0.3341 2.0714 -0.2764 C.ar 1 UNK 0.0797 10 C2 -1.7430 -0.3357 -0.7205 C.ar 1 UNK 0.1628 11 C3 -2.4259 0.8282 -0.3856 C.ar 1 UNK 0.1641 12 C4 -0.3567 -0.3090 -0.8364 C.ar 1 UNK -0.0038 13 C5 1.7297 0.9839 -0.7150 C.ar 1 UNK 0.1340 14 C6 -1.7215 2.0160 -0.1673 C.ar 1 UNK 0.0098 15 C7 -2.0930 -2.6027 -0.0928 C.3 1 UNK 0.1130 16 C8 3.7861 -0.5763 -0.7298 C.ar 1 UNK 0.0335 17 C9 -4.3551 1.7494 0.6563 C.3 1 UNK 0.1130 18 C10 1.6683 3.1847 -0.1897 C.ar 1 UNK 0.1187 19 C11 -3.3264 -3.4670 0.0851 C.3 1 UNK 0.0814 20 C12 -5.6535 1.1760 1.1904 C.3 1 UNK 0.0814 21 C13 4.3592 -0.1864 0.4807 C.ar 1 UNK -0.0251 22 C14 4.5082 -1.3722 -1.6190 C.ar 1 UNK -0.0404 23 C15 5.6545 -0.5924 0.8017 C.ar 1 UNK 0.0264 24 C16 5.8034 -1.7783 -1.2979 C.ar 1 UNK -0.0589 25 C17 6.3766 -1.3882 -0.0876 C.ar 1 UNK -0.0462 26 C18 -5.5415 -3.4491 0.8700 C.3 1 UNK 0.0366 27 C19 -7.7846 0.4219 0.5477 C.3 1 UNK 0.0366 28 C20 6.2422 -0.1932 2.0414 C.1 1 UNK -0.0696 29 C21 6.7362 0.1422 3.0833 C.1 1 UNK -0.1139 30 H 1.9977 -0.8051 -1.6265 H 1 UNK 0.1536 31 H1 0.1569 -1.1690 -1.0847 H 1 UNK 0.0663 32 H2 -2.2419 2.8720 0.0806 H 1 UNK 0.0677 33 H3 -1.7677 -2.2416 0.8604 H 1 UNK 0.0720 34 H4 -1.3087 -3.1797 -0.5366 H 1 UNK 0.0720 35 H5 -4.5501 2.6773 0.1605 H 1 UNK 0.0720 36 H6 -3.6755 1.9189 1.4652 H 1 UNK 0.0720 37 H7 2.1710 4.0707 -0.0242 H 1 UNK 0.1048 38 H8 -3.6621 -3.8137 -0.8699 H 1 UNK 0.0593 39 H9 -3.0914 -4.3090 0.7022 H 1 UNK 0.0593 40 H10 -5.4611 0.2394 1.6707 H 1 UNK 0.0593 41 H11 -6.0827 1.8530 1.8991 H 1 UNK 0.0593 42 H12 3.8249 0.4024 1.1387 H 1 UNK 0.0648 43 H13 4.0841 -1.6606 -2.5145 H 1 UNK 0.0636 44 H14 6.3375 -2.3673 -1.9557 H 1 UNK 0.0619 45 H15 7.3350 -1.6884 0.1499 H 1 UNK 0.0630 46 H16 -6.2882 -2.8379 1.3325 H 1 UNK 0.0524 47 H17 -5.3396 -4.2968 1.4910 H 1 UNK 0.0524 48 H18 -5.8936 -3.7817 -0.0841 H 1 UNK 0.0524 49 H19 -8.4362 0.2885 -0.2905 H 1 UNK 0.0524 50 H20 -8.2430 1.0819 1.2543 H 1 UNK 0.0524 51 H21 -7.6010 -0.5249 1.0111 H 1 UNK 0.0524 52 H22 7.1451 0.4198 3.9457 H 1 UNK 0.1232 @BOND 1 1 10 1 2 1 15 1 3 2 11 1 4 2 17 1 5 3 19 1 6 3 26 1 7 4 20 1 8 4 27 1 9 5 13 1 10 5 16 1 11 6 9 ar 12 6 18 ar 13 7 13 ar 14 7 18 ar 15 8 9 ar 16 8 12 ar 17 8 13 ar 18 9 14 ar 19 10 11 ar 20 10 12 ar 21 11 14 ar 22 15 19 1 23 16 21 ar 24 16 22 ar 25 17 20 1 26 21 23 ar 27 22 24 ar 28 23 25 ar 29 23 28 1 30 24 25 ar 31 28 29 3 32 5 30 1 33 12 31 1 34 14 32 1 35 15 33 1 36 15 34 1 37 17 35 1 38 17 36 1 39 18 37 1 40 19 38 1 41 19 39 1 42 20 40 1 43 20 41 1 44 21 42 1 45 22 43 1 46 24 44 1 47 25 45 1 48 26 46 1 49 26 47 1 50 26 48 1 51 27 49 1 52 27 50 1 53 27 51 1 54 29 52 1