@MOLECULE synnematin b 45 46 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.2668 -0.3601 -1.9394 S.3 1 UNL1111111111 -0.1237 2 O -0.8842 1.8017 1.9583 O.2 1 UNL1111111111 -0.3493 3 O -3.9777 -1.4764 1.9967 O.3 1 UNL1111111111 -0.5769 4 OXT -4.9177 0.1171 0.7445 O.2 1 UNL1111111111 -0.4530 5 O 1.4871 3.3570 0.5680 O.2 1 UNL1111111111 -0.4924 6 O 5.3253 -1.5330 0.8777 O.3 1 UNL1111111111 -0.5579 7 OXT 4.1503 -2.7294 -0.5996 O.2 1 UNL1111111111 -0.5072 8 N -2.2160 0.9346 0.1954 N.am 1 UNL1111111111 -0.5245 9 N 0.6968 1.9001 -0.9626 N.am 1 UNL1111111111 -0.6203 10 N 1.7074 -1.7056 0.4648 N.3 1 UNL1111111111 -0.6455 11 C -1.7679 1.2426 -1.1913 C.3 1 UNL1111111111 -0.0175 12 C -2.3493 -1.3554 -0.7559 C.3 1 UNL1111111111 0.0911 13 CA -2.5138 -0.4540 0.5059 C.3 1 UNL1111111111 -0.0304 14 CA -0.6639 2.1945 -0.6035 C.3 1 UNL1111111111 -0.0011 15 C -1.1392 1.6729 0.8127 C.2 1 UNL1111111111 0.5299 16 C -1.6417 -2.6489 -0.4027 C.3 1 UNL1111111111 -0.4823 17 C -3.6728 -1.6310 -1.4483 C.3 1 UNL1111111111 -0.4808 18 C -3.9427 -0.5099 1.0395 C.2 1 UNL1111111111 0.6283 19 C 1.7313 2.5584 -0.3053 C.2 1 UNL1111111111 0.5839 20 C 3.1382 2.2072 -0.7312 C.3 1 UNL1111111111 -0.3617 21 C 3.4318 0.7160 -0.5661 C.3 1 UNL1111111111 -0.2621 22 C 3.2010 0.2760 0.8861 C.3 1 UNL1111111111 -0.3103 23 CA 3.0048 -1.2424 0.9985 C.3 1 UNL1111111111 -0.0047 24 C 4.1640 -1.9430 0.3103 C.2 1 UNL1111111111 0.6025 25 H -2.5436 1.7513 -1.7945 H 1 UNL1111111111 0.1867 26 HA -1.8233 -0.8180 1.3289 H 1 UNL1111111111 0.1985 27 HA -0.8875 3.2809 -0.7251 H 1 UNL1111111111 0.1895 28 H -2.2709 -3.2701 0.2568 H 1 UNL1111111111 0.1745 29 H -0.6966 -2.5015 0.1425 H 1 UNL1111111111 0.1782 30 H -1.4163 -3.2654 -1.2835 H 1 UNL1111111111 0.1668 31 H -3.5455 -2.1610 -2.4027 H 1 UNL1111111111 0.1680 32 H -4.2418 -0.7128 -1.6656 H 1 UNL1111111111 0.1772 33 H -4.3272 -2.2668 -0.8325 H 1 UNL1111111111 0.1653 34 H 0.8798 1.1613 -1.6224 H 1 UNL1111111111 0.3257 35 H 3.8470 2.8073 -0.1151 H 1 UNL1111111111 0.1872 36 H 3.3141 2.5319 -1.7768 H 1 UNL1111111111 0.1699 37 H -4.8480 -1.5603 2.4556 H 1 UNL1111111111 0.3594 38 H 2.8184 0.1171 -1.2652 H 1 UNL1111111111 0.1395 39 H 4.4836 0.5118 -0.8573 H 1 UNL1111111111 0.1551 40 H 2.3248 0.7920 1.3336 H 1 UNL1111111111 0.1738 41 H 4.0590 0.5896 1.5172 H 1 UNL1111111111 0.1729 42 HA 3.0147 -1.5416 2.0902 H 1 UNL1111111111 0.1892 43 H1 1.8203 -2.3418 -0.3139 H 1 UNL1111111111 0.2720 44 H2 1.1274 -0.9304 0.1846 H 1 UNL1111111111 0.2592 45 H 6.1305 -1.9696 0.5032 H 1 UNL1111111111 0.3570 @BOND 1 1 11 1 2 1 12 1 3 2 15 2 4 3 18 1 5 3 37 1 6 4 18 2 7 5 19 2 8 6 24 1 9 6 45 1 10 7 24 2 11 8 11 1 12 8 13 1 13 8 15 am 14 9 14 1 15 9 19 am 16 9 34 1 17 10 23 1 18 10 43 1 19 10 44 1 20 11 14 1 21 11 25 1 22 12 13 1 23 12 16 1 24 12 17 1 25 13 18 1 26 13 26 1 27 14 15 1 28 14 27 1 29 16 28 1 30 16 29 1 31 16 30 1 32 17 31 1 33 17 32 1 34 17 33 1 35 19 20 1 36 20 21 1 37 20 35 1 38 20 36 1 39 21 22 1 40 21 38 1 41 21 39 1 42 22 23 1 43 22 40 1 44 22 41 1 45 23 24 1 46 23 42 1