@MOLECULE tabtoxin 39 39 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.9418 -1.7528 -0.2957 O.3 1 UNL1111111111 -0.5235 2 O 5.4559 -0.3009 -1.7236 O.2 1 UNL1111111111 -0.4710 3 O -1.5239 1.5619 1.6204 O.2 1 UNL1111111111 -0.5352 4 OG1 -3.6938 -0.9852 -1.9821 O.3 1 UNL1111111111 -0.5601 5 O -4.1590 -1.3897 1.7827 O.3 1 UNL1111111111 -0.5473 6 OXT -2.4084 -2.1497 0.6275 O.2 1 UNL1111111111 -0.4970 7 N 5.4598 -0.3119 0.6343 N.am 1 UNL1111111111 -0.6379 8 N -1.9799 0.4947 -0.3131 N.am 1 UNL1111111111 -0.5863 9 N 0.7205 2.8378 0.5917 N.3 1 UNL1111111111 -0.6147 10 C 3.4652 -0.4863 -0.0727 C.3 1 UNL1111111111 0.1987 11 C 2.5192 0.6332 -0.4190 C.3 1 UNL1111111111 -0.3217 12 C 4.1631 -0.5100 1.3425 C.3 1 UNL1111111111 -0.0890 13 C 1.1766 0.4304 0.2846 C.3 1 UNL1111111111 -0.2651 14 C 4.9316 -0.3513 -0.6544 C.2 1 UNL1111111111 0.5340 15 CA 0.2295 1.6036 -0.0341 C.3 1 UNL1111111111 -0.0171 16 C -1.1518 1.2193 0.5181 C.2 1 ACE1111111111 0.5134 17 CA -3.2975 0.0873 0.1534 C.3 1 UNL1111111111 -0.0499 18 CB -4.2672 -0.0844 -1.0564 C.3 1 UNL1111111111 0.1657 19 CG2 -4.4382 1.2150 -1.8307 C.3 1 UNL1111111111 -0.4602 20 C -3.1838 -1.2602 0.8550 C.2 1 UNL1111111111 0.5984 21 H 2.9455 1.6218 -0.1317 H 1 UNL1111111111 0.1886 22 H 2.3826 0.6973 -1.5178 H 1 UNL1111111111 0.1590 23 H 4.0762 -1.4719 1.8704 H 1 UNL1111111111 0.1582 24 H 3.9066 0.3187 2.0137 H 1 UNL1111111111 0.1504 25 H 1.3249 0.3432 1.3806 H 1 UNL1111111111 0.1606 26 H 0.7187 -0.5306 -0.0237 H 1 UNL1111111111 0.1585 27 H 6.3722 -0.3981 0.9915 H 1 UNL1111111111 0.3215 28 HA 0.1761 1.7644 -1.1413 H 1 UNL1111111111 0.1595 29 H 2.5807 -1.8371 -1.2058 H 1 UNL1111111111 0.3304 30 HA -3.7119 0.8538 0.8720 H 1 UNL1111111111 0.2095 31 H -1.6899 0.1137 -1.2032 H 1 UNL1111111111 0.3338 32 H1 0.7736 2.7497 1.5982 H 1 UNL1111111111 0.2659 33 H2 0.1357 3.6324 0.3763 H 1 UNL1111111111 0.2545 34 HB -5.2436 -0.4917 -0.7046 H 1 UNL1111111111 0.1345 35 HG21 -3.4817 1.5686 -2.2401 H 1 UNL1111111111 0.1652 36 HG22 -4.8568 2.0092 -1.2047 H 1 UNL1111111111 0.1581 37 HG23 -5.1051 1.0717 -2.6928 H 1 UNL1111111111 0.1672 38 HG1 -3.5308 -1.8641 -1.5791 H 1 UNL1111111111 0.3290 39 H -4.1216 -2.2480 2.2805 H 1 UNL1111111111 0.3613 @BOND 1 1 10 1 2 1 29 1 3 2 14 2 4 3 16 2 5 4 18 1 6 4 38 1 7 5 20 1 8 5 39 1 9 6 20 2 10 7 12 1 11 7 14 am 12 7 27 1 13 8 16 am 14 8 17 1 15 8 31 1 16 9 15 1 17 9 32 1 18 9 33 1 19 10 11 1 20 10 12 1 21 10 14 1 22 11 13 1 23 11 21 1 24 11 22 1 25 12 23 1 26 12 24 1 27 13 15 1 28 13 25 1 29 13 26 1 30 15 16 1 31 15 28 1 32 17 18 1 33 17 20 1 34 17 30 1 35 18 19 1 36 18 34 1 37 19 35 1 38 19 36 1 39 19 37 1