@MOLECULE (2s,3s,4e,6e,8r,9r)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyl-4,6-decadienoic acid 53 53 0 0 0 SMALL GASTEIGER @ATOM 1 N 4.7786 2.2488 -0.0179 N.3 1 UNL1111111111 -0.6527 2 C 5.3171 -0.1338 -0.2770 C.3 1 UNL1111111111 -0.1742 3 C 6.5711 0.0937 0.5285 C.2 1 UNL1111111111 0.6606 4 O 6.7276 0.0347 1.7184 O.2 1 UNL1111111111 -0.5129 5 O 7.6193 0.3475 -0.3005 O.3 1 UNL1111111111 -0.5684 6 C 4.2480 0.8869 0.2041 C.3 1 UNL1111111111 0.0551 7 C 4.8563 -1.5708 -0.0438 C.3 1 UNL1111111111 -0.4431 8 C -0.1350 -1.0351 -0.3712 C.2 1 UNL1111111111 -0.1752 9 C 0.5671 0.0775 -0.6326 C.2 1 UNL1111111111 -0.0263 10 C 1.8242 0.3230 0.0809 C.2 1 UNL1111111111 -0.1349 11 C 2.9598 0.6556 -0.5401 C.2 1 UNL1111111111 -0.2360 12 C -3.9556 -1.0155 -0.7974 C.3 1 UNL1111111111 -0.3494 13 C -2.5722 -0.8589 -0.1321 C.3 1 UNL1111111111 0.1152 14 C -1.4284 -1.3966 -1.0330 C.3 1 UNL1111111111 -0.1174 15 C -6.6054 2.0500 0.6061 C.ar 1 UNL1111111111 -0.1696 16 C -5.5592 2.3694 -0.2581 C.ar 1 UNL1111111111 -0.1295 17 C -4.7067 1.3712 -0.7221 C.ar 1 UNL1111111111 -0.1885 18 C -4.8932 0.0460 -0.3181 C.ar 1 UNL1111111111 0.0260 19 C -5.9475 -0.2734 0.5400 C.ar 1 UNL1111111111 -0.1819 20 C -6.7998 0.7276 1.0007 C.ar 1 UNL1111111111 -0.1329 21 O -2.5343 -1.6755 1.0274 O.3 1 UNL1111111111 -0.3885 22 C -2.8768 -0.9979 2.2211 C.3 1 UNL1111111111 -0.2026 23 C -1.5282 -2.9126 -1.2205 C.3 1 UNL1111111111 -0.4394 24 C 0.1480 1.1067 -1.6295 C.3 1 UNL1111111111 -0.4409 25 H 4.1932 2.9536 0.3983 H 1 UNL1111111111 0.2585 26 H 4.9094 2.4599 -0.9927 H 1 UNL1111111111 0.2525 27 H 5.5271 0.0279 -1.3643 H 1 UNL1111111111 0.1737 28 H 8.4602 0.5473 0.1753 H 1 UNL1111111111 0.3513 29 H 4.1079 0.7626 1.3143 H 1 UNL1111111111 0.1656 30 H 4.7034 -1.7806 1.0243 H 1 UNL1111111111 0.1644 31 H 3.9063 -1.7724 -0.5565 H 1 UNL1111111111 0.1617 32 H 5.5903 -2.2948 -0.4189 H 1 UNL1111111111 0.1542 33 H 0.1990 -1.7517 0.3803 H 1 UNL1111111111 0.1598 34 H 1.7743 0.1934 1.1650 H 1 UNL1111111111 0.1561 35 H 3.0174 0.7753 -1.6189 H 1 UNL1111111111 0.1519 36 H -3.8636 -0.9766 -1.9006 H 1 UNL1111111111 0.1587 37 H -4.3409 -2.0330 -0.5730 H 1 UNL1111111111 0.1722 38 H -2.3741 0.2045 0.1281 H 1 UNL1111111111 0.1263 39 H -1.5088 -0.9053 -2.0341 H 1 UNL1111111111 0.1426 40 H -7.2701 2.8302 0.9687 H 1 UNL1111111111 0.1487 41 H -5.4094 3.4005 -0.5719 H 1 UNL1111111111 0.1466 42 H -3.8944 1.6233 -1.3995 H 1 UNL1111111111 0.1501 43 H -6.1030 -1.3047 0.8510 H 1 UNL1111111111 0.1553 44 H -7.6201 0.4755 1.6699 H 1 UNL1111111111 0.1480 45 H -2.8370 -1.7929 2.9759 H 1 UNL1111111111 0.1440 46 H -2.1434 -0.2181 2.4482 H 1 UNL1111111111 0.1224 47 H -3.8857 -0.5767 2.1628 H 1 UNL1111111111 0.1289 48 H -1.5565 -3.4319 -0.2524 H 1 UNL1111111111 0.1631 49 H -2.4372 -3.1915 -1.7628 H 1 UNL1111111111 0.1434 50 H -0.6701 -3.2994 -1.7801 H 1 UNL1111111111 0.1425 51 H -0.9020 1.4017 -1.4899 H 1 UNL1111111111 0.1565 52 H 0.7454 2.0255 -1.5597 H 1 UNL1111111111 0.1519 53 H 0.2511 0.7290 -2.6574 H 1 UNL1111111111 0.1565 @BOND 1 1 6 1 2 1 25 1 3 1 26 1 4 2 3 1 5 2 6 1 6 2 7 1 7 2 27 1 8 3 4 2 9 3 5 1 10 5 28 1 11 6 11 1 12 6 29 1 13 7 30 1 14 7 31 1 15 7 32 1 16 8 9 2 17 8 14 1 18 8 33 1 19 9 10 1 20 9 24 1 21 10 11 2 22 10 34 1 23 11 35 1 24 12 13 1 25 12 18 1 26 12 36 1 27 12 37 1 28 13 14 1 29 13 21 1 30 13 38 1 31 14 23 1 32 14 39 1 33 15 16 ar 34 15 20 ar 35 15 40 1 36 16 17 ar 37 16 41 1 38 17 18 ar 39 17 42 1 40 18 19 ar 41 19 20 ar 42 19 43 1 43 20 44 1 44 21 22 1 45 22 45 1 46 22 46 1 47 22 47 1 48 23 48 1 49 23 49 1 50 23 50 1 51 24 51 1 52 24 52 1 53 24 53 1