@MOLECULE (9cis,13cis)-4-oxoretinal 48 48 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.8888 -2.9676 1.0207 O.2 1 UNL1111111111 -0.4601 2 O 7.7025 -0.5844 0.0287 O.2 1 UNL1111111111 -0.4433 3 C -3.5496 0.7287 -0.8018 C.3 1 UNL1111111111 0.0911 4 C -4.1139 -0.4704 -1.5960 C.3 1 UNL1111111111 -0.2795 5 C -2.5539 0.2291 0.2249 C.2 1 UNL1111111111 -0.0011 6 C -4.6892 -1.5445 -0.6796 C.3 1 UNL1111111111 -0.3813 7 C -4.6704 1.4746 -0.0601 C.3 1 UNL1111111111 -0.4558 8 C -2.8792 1.6837 -1.8022 C.3 1 UNL1111111111 -0.4614 9 C -2.6333 -0.9966 0.7670 C.2 1 UNL1111111111 -0.1340 10 C -3.7313 -1.9306 0.4197 C.2 1 UNL1111111111 0.4725 11 C -1.5354 1.1995 0.6371 C.2 1 UNL1111111111 -0.1401 12 C -1.6731 -1.5279 1.7709 C.3 1 UNL1111111111 -0.4286 13 C -0.2868 1.2006 0.1545 C.2 1 UNL1111111111 -0.1775 14 C 0.7259 2.1830 0.5403 C.2 1 UNL1111111111 0.0502 15 C 0.2477 3.5747 0.7966 C.3 1 UNL1111111111 -0.4544 16 C 2.0300 1.8700 0.6403 C.2 1 UNL1111111111 -0.2300 17 C 2.5620 0.5341 0.4078 C.2 1 UNL1111111111 -0.0940 18 C 3.6528 0.3236 -0.3421 C.2 1 UNL1111111111 -0.2265 19 C 4.2130 -1.0071 -0.5870 C.2 1 UNL1111111111 0.1362 20 C 3.2397 -2.0473 -1.0334 C.3 1 UNL1111111111 -0.4630 21 C 5.5180 -1.2887 -0.4377 C.2 1 UNL1111111111 -0.3710 22 C 6.5233 -0.3136 0.0066 C.2 1 UNL1111111111 0.3499 23 H -3.3089 -0.9044 -2.2224 H 1 UNL1111111111 0.1479 24 H -4.8886 -0.1202 -2.3038 H 1 UNL1111111111 0.1467 25 H -4.9691 -2.4471 -1.2626 H 1 UNL1111111111 0.1743 26 H -5.6393 -1.2028 -0.2156 H 1 UNL1111111111 0.1738 27 H -4.2868 2.3653 0.4495 H 1 UNL1111111111 0.1477 28 H -5.4529 1.8028 -0.7524 H 1 UNL1111111111 0.1508 29 H -5.1427 0.8420 0.6998 H 1 UNL1111111111 0.1523 30 H -3.5767 1.9863 -2.5903 H 1 UNL1111111111 0.1493 31 H -2.5248 2.5987 -1.3141 H 1 UNL1111111111 0.1504 32 H -2.0126 1.2169 -2.2842 H 1 UNL1111111111 0.1512 33 H -1.8852 1.9317 1.3688 H 1 UNL1111111111 0.1613 34 H -0.9428 -0.7829 2.1100 H 1 UNL1111111111 0.1523 35 H -1.1139 -2.3854 1.3637 H 1 UNL1111111111 0.1635 36 H -2.2026 -1.9051 2.6628 H 1 UNL1111111111 0.1724 37 H 0.0377 0.4506 -0.5714 H 1 UNL1111111111 0.1626 38 H 1.0657 4.3075 0.8208 H 1 UNL1111111111 0.1573 39 H -0.2702 3.6405 1.7656 H 1 UNL1111111111 0.1621 40 H -0.4591 3.9088 0.0237 H 1 UNL1111111111 0.1589 41 H 2.7705 2.6262 0.9076 H 1 UNL1111111111 0.1633 42 H 2.0231 -0.2859 0.8890 H 1 UNL1111111111 0.1563 43 H 4.1794 1.1494 -0.8251 H 1 UNL1111111111 0.1644 44 H 2.6040 -1.6792 -1.8526 H 1 UNL1111111111 0.1653 45 H 2.5688 -2.3412 -0.2110 H 1 UNL1111111111 0.1678 46 H 3.7284 -2.9643 -1.3914 H 1 UNL1111111111 0.1625 47 H 5.9171 -2.2834 -0.6428 H 1 UNL1111111111 0.1815 48 H 6.1854 0.6813 0.3275 H 1 UNL1111111111 0.1060 @BOND 1 1 10 2 2 2 22 2 3 3 4 1 4 3 5 1 5 3 7 1 6 3 8 1 7 4 6 1 8 4 23 1 9 4 24 1 10 5 9 2 11 5 11 1 12 6 10 1 13 6 25 1 14 6 26 1 15 7 27 1 16 7 28 1 17 7 29 1 18 8 30 1 19 8 31 1 20 8 32 1 21 9 10 1 22 9 12 1 23 11 13 2 24 11 33 1 25 12 34 1 26 12 35 1 27 12 36 1 28 13 14 1 29 13 37 1 30 14 15 1 31 14 16 2 32 15 38 1 33 15 39 1 34 15 40 1 35 16 17 1 36 16 41 1 37 17 18 2 38 17 42 1 39 18 19 1 40 18 43 1 41 19 20 1 42 19 21 2 43 20 44 1 44 20 45 1 45 20 46 1 46 21 22 1 47 21 47 1 48 22 48 1