@MOLECULE grenadamide 56 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.4839 -1.8701 2.2273 O.2 1 UNL1111111111 -0.5515 2 N -1.7064 -0.8122 1.3168 N.am 1 UNL1111111111 -0.6075 3 C -1.5346 2.0176 -0.7709 C.3 1 UNL1111111111 -0.1730 4 C -2.6737 2.1786 0.2242 C.3 1 UNL1111111111 -0.1677 5 C -2.6257 3.0326 -1.0271 C.3 1 UNL1111111111 -0.3404 6 C -0.1476 2.5086 -0.4300 C.3 1 UNL1111111111 -0.2691 7 C -3.7591 1.1298 0.3280 C.3 1 UNL1111111111 -0.2561 8 C 0.6775 1.3987 0.2312 C.3 1 UNL1111111111 -0.2863 9 C -3.7962 0.4426 1.6964 C.3 1 UNL1111111111 -0.3641 10 C 2.1635 1.7688 0.2971 C.3 1 UNL1111111111 -0.2653 11 C -3.0154 -0.8535 1.7533 C.2 1 UNL1111111111 0.5913 12 C 2.9685 0.5988 0.8782 C.3 1 UNL1111111111 -0.2722 13 C 4.4710 0.9007 0.8481 C.3 1 UNL1111111111 -0.2709 14 C 5.2714 -0.2817 1.4106 C.3 1 UNL1111111111 -0.2508 15 C -0.9035 -2.0353 1.2996 C.3 1 UNL1111111111 -0.0470 16 C -1.0021 -2.7768 -0.0524 C.3 1 UNL1111111111 -0.3285 17 C 6.7702 0.0180 1.3971 C.3 1 UNL1111111111 -0.4429 18 C -0.3300 -2.0050 -1.1421 C.ar 1 UNL1111111111 0.0253 19 C -1.0918 -1.3204 -2.0914 C.ar 1 UNL1111111111 -0.1923 20 C 1.0654 -1.9578 -1.2093 C.ar 1 UNL1111111111 -0.1873 21 C -0.4616 -0.5831 -3.0920 C.ar 1 UNL1111111111 -0.1348 22 C 1.6920 -1.2189 -2.2092 C.ar 1 UNL1111111111 -0.1291 23 C 0.9295 -0.5271 -3.1495 C.ar 1 UNL1111111111 -0.1639 24 H -1.5172 1.1178 -1.3993 H 1 UNL1111111111 0.1602 25 H -2.4489 2.6652 1.1796 H 1 UNL1111111111 0.1587 26 H -3.3407 2.8624 -1.8258 H 1 UNL1111111111 0.1566 27 H -2.4078 4.0924 -0.9455 H 1 UNL1111111111 0.1559 28 H -0.1845 3.3965 0.2292 H 1 UNL1111111111 0.1426 29 H 0.3525 2.8496 -1.3604 H 1 UNL1111111111 0.1477 30 H -3.6639 0.3759 -0.4787 H 1 UNL1111111111 0.1487 31 H -4.7409 1.6193 0.1443 H 1 UNL1111111111 0.1534 32 H 0.2956 1.1992 1.2510 H 1 UNL1111111111 0.1388 33 H 0.5623 0.4545 -0.3415 H 1 UNL1111111111 0.1495 34 H -3.4315 1.1199 2.4956 H 1 UNL1111111111 0.1711 35 H -4.8495 0.2131 1.9751 H 1 UNL1111111111 0.1780 36 H 2.5367 2.0201 -0.7133 H 1 UNL1111111111 0.1374 37 H 2.3071 2.6761 0.9111 H 1 UNL1111111111 0.1369 38 H 2.6417 0.3931 1.9144 H 1 UNL1111111111 0.1374 39 H 2.7580 -0.3238 0.3033 H 1 UNL1111111111 0.1374 40 H 4.7956 1.1178 -0.1864 H 1 UNL1111111111 0.1354 41 H 4.6871 1.8154 1.4301 H 1 UNL1111111111 0.1349 42 H -1.3582 -0.0232 0.7888 H 1 UNL1111111111 0.3219 43 H 4.9405 -0.5057 2.4423 H 1 UNL1111111111 0.1334 44 H 5.0634 -1.1941 0.8203 H 1 UNL1111111111 0.1337 45 H -1.2502 -2.7127 2.1189 H 1 UNL1111111111 0.1694 46 H 0.1542 -1.7656 1.5174 H 1 UNL1111111111 0.1378 47 H -0.5495 -3.7843 0.0481 H 1 UNL1111111111 0.1592 48 H -2.0711 -2.9667 -0.2854 H 1 UNL1111111111 0.1678 49 H 7.0090 0.8955 2.0083 H 1 UNL1111111111 0.1426 50 H 7.3480 -0.8245 1.7925 H 1 UNL1111111111 0.1400 51 H 7.1303 0.2164 0.3815 H 1 UNL1111111111 0.1422 52 H -2.1782 -1.3665 -2.0534 H 1 UNL1111111111 0.1534 53 H 1.6625 -2.5016 -0.4804 H 1 UNL1111111111 0.1527 54 H -1.0574 -0.0511 -3.8314 H 1 UNL1111111111 0.1495 55 H 2.7789 -1.1804 -2.2572 H 1 UNL1111111111 0.1490 56 H 1.4199 0.0529 -3.9277 H 1 UNL1111111111 0.1507 @BOND 1 1 11 2 2 2 11 am 3 2 15 1 4 2 42 1 5 3 4 1 6 3 5 1 7 3 6 1 8 3 24 1 9 4 5 1 10 4 7 1 11 4 25 1 12 5 26 1 13 5 27 1 14 6 8 1 15 6 28 1 16 6 29 1 17 7 9 1 18 7 30 1 19 7 31 1 20 8 10 1 21 8 32 1 22 8 33 1 23 9 11 1 24 9 34 1 25 9 35 1 26 10 12 1 27 10 36 1 28 10 37 1 29 12 13 1 30 12 38 1 31 12 39 1 32 13 14 1 33 13 40 1 34 13 41 1 35 14 17 1 36 14 43 1 37 14 44 1 38 15 16 1 39 15 45 1 40 15 46 1 41 16 18 1 42 16 47 1 43 16 48 1 44 17 49 1 45 17 50 1 46 17 51 1 47 18 19 ar 48 18 20 ar 49 19 21 ar 50 19 52 1 51 20 22 ar 52 20 53 1 53 21 23 ar 54 21 54 1 55 22 23 ar 56 22 55 1 57 23 56 1