@MOLECULE 5,8,11,14,19-eicosapentaenoic acid 52 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.9443 -1.3359 -0.8298 O.3 1 UNL1111111111 -0.5788 2 O -4.5308 -0.2223 -2.1386 O.2 1 UNL1111111111 -0.5045 3 C 1.0592 -2.6853 2.0184 C.3 1 UNL1111111111 -0.2505 4 C -3.1447 0.8689 0.0906 C.3 1 UNL1111111111 -0.2522 5 C 2.0053 -3.3857 1.0287 C.3 1 UNL1111111111 -0.2774 6 C -2.6313 1.4009 1.4362 C.3 1 UNL1111111111 -0.2754 7 C 0.4228 -1.4291 1.4028 C.3 1 UNL1111111111 -0.2869 8 C -4.3075 -0.1042 0.2947 C.3 1 UNL1111111111 -0.3464 9 C -1.4927 2.3399 1.1961 C.2 1 UNL1111111111 -0.1575 10 C 3.1209 -2.4762 0.6239 C.2 1 UNL1111111111 -0.1557 11 C 0.8680 3.0802 1.4427 C.3 1 UNL1111111111 -0.2865 12 C 4.4429 -1.2252 -1.0781 C.3 1 UNL1111111111 -0.2865 13 C -0.2799 2.1612 1.7251 C.2 1 UNL1111111111 -0.1592 14 C 3.3655 -2.1748 -0.6540 C.2 1 UNL1111111111 -0.1601 15 C 3.2011 2.4161 -1.6004 C.3 1 UNL1111111111 -0.2812 16 C 1.8002 2.4221 0.4725 C.2 1 UNL1111111111 -0.1485 17 C -0.3829 -1.7515 0.1843 C.2 1 UNL1111111111 -0.1026 18 C 3.7876 0.0001 -1.6380 C.2 1 UNL1111111111 -0.1541 19 C 2.2785 3.0488 -0.6053 C.2 1 UNL1111111111 -0.1639 20 C 3.8877 1.2004 -1.0622 C.2 1 UNL1111111111 -0.1617 21 C -4.8757 -0.5137 -1.0248 C.2 1 UNL1111111111 0.6479 22 C -0.2918 -1.0556 -0.9489 C.2 1 UNL1111111111 -0.3469 23 H 0.2709 -3.3911 2.3392 H 1 UNL1111111111 0.1318 24 H 1.6130 -2.4076 2.9350 H 1 UNL1111111111 0.1340 25 H -2.3168 0.3670 -0.4560 H 1 UNL1111111111 0.1680 26 H -3.4554 1.7078 -0.5624 H 1 UNL1111111111 0.1538 27 H 1.4264 -3.7305 0.1468 H 1 UNL1111111111 0.1486 28 H 2.4190 -4.3052 1.4897 H 1 UNL1111111111 0.1395 29 H -3.4428 1.9268 1.9798 H 1 UNL1111111111 0.1442 30 H -2.3324 0.5570 2.0891 H 1 UNL1111111111 0.1425 31 H -0.2278 -0.9327 2.1524 H 1 UNL1111111111 0.1407 32 H 1.2201 -0.6929 1.1656 H 1 UNL1111111111 0.1540 33 H -3.9774 -1.0044 0.8584 H 1 UNL1111111111 0.1810 34 H -5.1051 0.3513 0.9217 H 1 UNL1111111111 0.1794 35 H -1.7202 3.1796 0.5416 H 1 UNL1111111111 0.1466 36 H 3.7069 -2.0693 1.4440 H 1 UNL1111111111 0.1420 37 H 0.5150 4.0621 1.0640 H 1 UNL1111111111 0.1490 38 H 1.4150 3.3149 2.3830 H 1 UNL1111111111 0.1544 39 H 5.0930 -1.6984 -1.8464 H 1 UNL1111111111 0.1543 40 H 5.1230 -0.9778 -0.2377 H 1 UNL1111111111 0.1478 41 H -0.0441 1.3215 2.3747 H 1 UNL1111111111 0.1416 42 H 2.7687 -2.5802 -1.4690 H 1 UNL1111111111 0.1475 43 H 3.9699 3.1528 -1.9269 H 1 UNL1111111111 0.1522 44 H 2.6213 2.1780 -2.5216 H 1 UNL1111111111 0.1570 45 H 2.0565 1.3899 0.7083 H 1 UNL1111111111 0.1519 46 H 3.1985 -0.1683 -2.5374 H 1 UNL1111111111 0.1470 47 H -1.0579 -2.5992 0.2902 H 1 UNL1111111111 0.1364 48 H 2.0059 4.0763 -0.8404 H 1 UNL1111111111 0.1407 49 H 4.4713 1.3690 -0.1594 H 1 UNL1111111111 0.1467 50 H -0.8715 -1.2719 -1.8325 H 1 UNL1111111111 0.1496 51 H 0.3733 -0.2158 -1.0843 H 1 UNL1111111111 0.1512 52 H -6.3672 -1.6435 -1.6660 H 1 UNL1111111111 0.3551 @BOND 1 1 21 1 2 1 52 1 3 2 21 2 4 3 5 1 5 3 7 1 6 3 23 1 7 3 24 1 8 4 6 1 9 4 8 1 10 4 25 1 11 4 26 1 12 5 10 1 13 5 27 1 14 5 28 1 15 6 9 1 16 6 29 1 17 6 30 1 18 7 17 1 19 7 31 1 20 7 32 1 21 8 21 1 22 8 33 1 23 8 34 1 24 9 13 2 25 9 35 1 26 10 14 2 27 10 36 1 28 11 13 1 29 11 16 1 30 11 37 1 31 11 38 1 32 12 14 1 33 12 18 1 34 12 39 1 35 12 40 1 36 13 41 1 37 14 42 1 38 15 19 1 39 15 20 1 40 15 43 1 41 15 44 1 42 16 19 2 43 16 45 1 44 17 22 2 45 17 47 1 46 18 20 2 47 18 46 1 48 19 48 1 49 20 49 1 50 22 50 1 51 22 51 1