@MOLECULE 20-trifluoromethyl-leukotriene b4 56 55 0 0 0 SMALL GASTEIGER @ATOM 1 F -1.3689 -1.7504 -0.5175 F 1 UNL1111111111 -0.1937 2 F -0.6361 -3.5455 -1.3446 F 1 UNL1111111111 -0.2122 3 F -0.7674 -3.3298 0.7483 F 1 UNL1111111111 -0.2107 4 O -2.8615 4.4119 1.0197 O.3 1 UNL1111111111 -0.5628 5 O 5.4406 2.7047 0.6568 O.3 1 UNL1111111111 -0.5602 6 O -5.9948 -2.0463 0.4624 O.3 1 UNL1111111111 -0.5775 7 O -3.8210 -1.9149 0.0015 O.2 1 UNL1111111111 -0.4917 8 C 3.4596 -2.6574 -0.1741 C.3 1 UNL1111111111 -0.2583 9 C 2.0287 -3.1965 -0.0673 C.3 1 UNL1111111111 -0.2615 10 C 3.8324 -1.7580 1.0167 C.3 1 UNL1111111111 -0.2781 11 C 0.9939 -2.0982 -0.3265 C.3 1 UNL1111111111 -0.3375 12 C -3.9506 2.3574 0.7345 C.3 1 UNL1111111111 -0.2986 13 C -3.7538 0.8716 0.4329 C.3 1 UNL1111111111 -0.2567 14 C -2.6535 3.1300 0.4374 C.3 1 UNL1111111111 0.1523 15 C 5.2856 -1.4133 0.9397 C.2 1 UNL1111111111 -0.1548 16 C -5.0507 0.0902 0.6592 C.3 1 UNL1111111111 -0.3403 17 C 4.9707 0.6212 -0.4847 C.3 1 UNL1111111111 -0.3387 18 C -0.4214 -2.6730 -0.3593 C.3 1 UNL1111111111 0.5453 19 C 5.7878 -0.3672 0.2770 C.2 1 UNL1111111111 -0.1781 20 C 4.4351 1.7219 0.4555 C.3 1 UNL1111111111 0.1530 21 C -2.4282 3.2897 -1.0385 C.2 1 UNL1111111111 -0.2227 22 C 3.2964 2.4599 -0.1763 C.2 1 UNL1111111111 -0.1535 23 C -4.8295 -1.3520 0.3329 C.2 1 UNL1111111111 0.6385 24 C -1.3478 2.8314 -1.6750 C.2 1 UNL1111111111 -0.1516 25 C 2.0766 1.9219 -0.3009 C.2 1 UNL1111111111 -0.1878 26 C -0.2573 2.1107 -1.0221 C.2 1 UNL1111111111 -0.1603 27 C 0.9781 2.6258 -0.9409 C.2 1 UNL1111111111 -0.1443 28 H 3.5973 -2.1058 -1.1230 H 1 UNL1111111111 0.1426 29 H 4.1682 -3.5080 -0.2258 H 1 UNL1111111111 0.1438 30 H 1.9037 -4.0260 -0.7936 H 1 UNL1111111111 0.1532 31 H 1.8739 -3.6536 0.9307 H 1 UNL1111111111 0.1535 32 H 3.2014 -0.8479 1.0250 H 1 UNL1111111111 0.1431 33 H 3.6078 -2.2775 1.9703 H 1 UNL1111111111 0.1474 34 H 1.0642 -1.3143 0.4585 H 1 UNL1111111111 0.1741 35 H 1.2137 -1.5815 -1.2863 H 1 UNL1111111111 0.1778 36 H -4.7875 2.7793 0.1480 H 1 UNL1111111111 0.1528 37 H -4.2264 2.5165 1.7967 H 1 UNL1111111111 0.1603 38 H -2.9449 0.4507 1.0642 H 1 UNL1111111111 0.1538 39 H -3.4065 0.7342 -0.6131 H 1 UNL1111111111 0.1586 40 H -1.7838 2.6708 0.9629 H 1 UNL1111111111 0.1258 41 H 5.9412 -2.1058 1.4688 H 1 UNL1111111111 0.1441 42 H -5.3990 0.1895 1.7097 H 1 UNL1111111111 0.1810 43 H -5.8782 0.4994 0.0402 H 1 UNL1111111111 0.1810 44 H 4.1277 0.1258 -1.0081 H 1 UNL1111111111 0.1621 45 H 5.5667 1.0965 -1.2922 H 1 UNL1111111111 0.1664 46 H 6.8617 -0.1816 0.2592 H 1 UNL1111111111 0.1443 47 H 4.1642 1.3109 1.4553 H 1 UNL1111111111 0.1310 48 H -3.2167 3.8329 -1.5562 H 1 UNL1111111111 0.1605 49 H 3.5470 3.4649 -0.5218 H 1 UNL1111111111 0.1753 50 H -1.2144 2.9809 -2.7513 H 1 UNL1111111111 0.1581 51 H -2.1370 5.0196 0.7704 H 1 UNL1111111111 0.3171 52 H 1.8549 0.9215 0.0715 H 1 UNL1111111111 0.1449 53 H -0.5173 1.1314 -0.6143 H 1 UNL1111111111 0.1621 54 H 6.2534 2.2956 1.0125 H 1 UNL1111111111 0.3191 55 H 1.2081 3.6097 -1.3549 H 1 UNL1111111111 0.1522 56 H -5.9032 -3.0102 0.2660 H 1 UNL1111111111 0.3562 @BOND 1 1 18 1 2 2 18 1 3 3 18 1 4 4 14 1 5 4 51 1 6 5 20 1 7 5 54 1 8 6 23 1 9 6 56 1 10 7 23 2 11 8 9 1 12 8 10 1 13 8 28 1 14 8 29 1 15 9 11 1 16 9 30 1 17 9 31 1 18 10 15 1 19 10 32 1 20 10 33 1 21 11 18 1 22 11 34 1 23 11 35 1 24 12 13 1 25 12 14 1 26 12 36 1 27 12 37 1 28 13 16 1 29 13 38 1 30 13 39 1 31 14 21 1 32 14 40 1 33 15 19 2 34 15 41 1 35 16 23 1 36 16 42 1 37 16 43 1 38 17 19 1 39 17 20 1 40 17 44 1 41 17 45 1 42 19 46 1 43 20 22 1 44 20 47 1 45 21 24 2 46 21 48 1 47 22 25 2 48 22 49 1 49 24 26 1 50 24 50 1 51 25 27 1 52 25 52 1 53 26 27 2 54 26 53 1 55 27 55 1