@MOLECULE FDBD00648 52 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3721 -2.2067 0.0453 O.3 1 UNK -0.3817 2 O1 0.1767 0.8358 1.6786 O.2 1 UNK -0.2754 3 O2 2.7190 1.2509 -1.2654 O.2 1 UNK -0.2738 4 O3 -3.7290 -1.1851 -1.4006 O.2 1 UNK -0.2709 5 O4 -5.8290 -1.3925 0.2879 O.3 1 UNK -0.2951 6 N 0.9079 -0.4225 -0.1257 N.am 1 UNK -0.3032 7 N1 3.8944 1.2220 0.7306 N.am 1 UNK -0.3168 8 N2 -4.5163 -1.2921 0.7674 N.am 1 UNK -0.1953 9 C 2.9498 -1.8658 -0.1596 C.3 1 UNK -0.0108 10 C1 2.2784 -0.5415 0.3109 C.3 1 UNK 0.1042 11 C2 -1.4309 0.2260 -0.0376 C.3 1 UNK 0.0703 12 C3 -2.2500 1.4922 0.2960 C.3 1 UNK -0.0367 13 C4 -1.9357 2.7176 -0.5911 C.3 1 UNK -0.0459 14 C5 -0.0435 0.2694 0.6101 C.2 1 UNK 0.2197 15 C6 4.3917 -2.0083 0.3647 C.3 1 UNK -0.0579 16 C7 2.9797 -1.9411 -1.6991 C.3 1 UNK -0.0579 17 C8 2.1266 -3.0691 0.3507 C.3 1 UNK -0.0579 18 C9 -2.1391 -1.0722 0.4177 C.3 1 UNK 0.1438 19 C10 2.9749 0.7270 -0.1822 C.2 1 UNK 0.2336 20 C11 -0.4590 3.0953 -0.4399 C.3 1 UNK -0.0626 21 C12 -2.8097 3.9265 -0.2520 C.3 1 UNK -0.0626 22 C13 -3.5340 -1.1919 -0.1870 C.2 1 UNK 0.2648 23 C14 4.6493 2.4264 0.4803 C.3 1 UNK 0.0001 24 H -0.4834 -2.1358 0.4274 H 1 UNK 0.2105 25 H1 -6.4425 -1.4580 1.0364 H 1 UNK 0.2414 26 H2 0.6394 -0.8459 -0.9730 H 1 UNK 0.1495 27 H3 4.0365 0.7368 1.5754 H 1 UNK 0.1484 28 H4 -4.3106 -1.2933 1.7302 H 1 UNK 0.1823 29 H5 2.3507 -0.6126 1.3761 H 1 UNK 0.0600 30 H6 -1.3369 0.2156 -1.1034 H 1 UNK 0.0425 31 H7 -2.0528 1.7581 1.3135 H 1 UNK 0.0276 32 H8 -3.2753 1.2445 0.1164 H 1 UNK 0.0276 33 H9 -2.1498 2.4420 -1.6026 H 1 UNK 0.0296 34 H10 4.9793 -1.1826 0.0214 H 1 UNK 0.0236 35 H11 4.8144 -2.9220 0.0022 H 1 UNK 0.0236 36 H12 4.3827 -2.0193 1.4346 H 1 UNK 0.0236 37 H13 3.5444 -1.1185 -2.0855 H 1 UNK 0.0236 38 H14 1.9800 -1.8967 -2.0779 H 1 UNK 0.0236 39 H15 3.4355 -2.8604 -2.0024 H 1 UNK 0.0236 40 H16 2.0864 -3.0461 1.4197 H 1 UNK 0.0236 41 H17 2.5893 -3.9792 0.0306 H 1 UNK 0.0236 42 H18 1.1338 -3.0155 -0.0448 H 1 UNK 0.0236 43 H19 -2.2324 -1.0287 1.4827 H 1 UNK 0.0698 44 H20 -0.2628 3.3677 0.5761 H 1 UNK 0.0232 45 H21 -0.2350 3.9225 -1.0806 H 1 UNK 0.0232 46 H22 0.1523 2.2595 -0.7095 H 1 UNK 0.0232 47 H23 -2.6215 4.2311 0.7563 H 1 UNK 0.0232 48 H24 -3.8410 3.6620 -0.3581 H 1 UNK 0.0232 49 H25 -2.5779 4.7320 -0.9170 H 1 UNK 0.0232 50 H26 4.3771 2.8261 -0.4742 H 1 UNK 0.0426 51 H27 5.6950 2.1998 0.4870 H 1 UNK 0.0426 52 H28 4.4355 3.1462 1.2425 H 1 UNK 0.0426 @BOND 1 1 18 1 2 2 14 2 3 3 19 2 4 4 22 2 5 5 8 1 6 6 10 1 7 6 14 am 8 7 19 am 9 7 23 1 10 8 22 am 11 9 10 1 12 9 15 1 13 9 16 1 14 9 17 1 15 10 19 1 16 11 12 1 17 11 14 1 18 11 18 1 19 12 13 1 20 13 20 1 21 13 21 1 22 18 22 1 23 1 24 1 24 5 25 1 25 6 26 1 26 7 27 1 27 8 28 1 28 10 29 1 29 11 30 1 30 12 31 1 31 12 32 1 32 13 33 1 33 15 34 1 34 15 35 1 35 15 36 1 36 16 37 1 37 16 38 1 38 16 39 1 39 17 40 1 40 17 41 1 41 17 42 1 42 18 43 1 43 20 44 1 44 20 45 1 45 20 46 1 46 21 47 1 47 21 48 1 48 21 49 1 49 23 50 1 50 23 51 1 51 23 52 1