@MOLECULE (7cis,9cis,11cis,13cis)-15-{[(1s)-1-carboxy-3-methylbutyl]amino}retinal 69 69 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.8176 0.8884 2.2421 O.3 1 LEU1111111111 -0.5729 2 OXT 5.1790 1.5981 0.6267 O.2 1 LEU1111111111 -0.4991 3 O 2.8076 -1.7508 -1.5308 O.2 0 UNK0 -0.5398 4 N 2.6527 -0.8035 0.5151 N.am 1 LEU1 -0.6089 5 C -2.7890 1.5403 1.0780 C.3 0 UNK0 0.1169 6 C -3.5404 0.7625 2.1807 C.3 0 UNK0 -0.2893 7 C -4.9345 0.3531 1.7054 C.3 0 UNK0 -0.2639 8 C -2.8352 0.7779 -0.2343 C.2 0 UNK0 -0.1247 9 C -4.8254 -0.5662 0.4852 C.3 0 UNK0 -0.2885 10 C -3.8084 -0.1063 -0.5163 C.2 0 UNK0 0.0521 11 C -1.3450 1.7635 1.5637 C.3 0 UNK0 -0.4709 12 C -3.4477 2.9163 0.8534 C.3 0 UNK0 -0.4572 13 C -1.7903 1.1635 -1.1790 C.2 0 UNK0 -0.1150 14 C -3.9559 -0.7606 -1.8505 C.3 0 UNK0 -0.4629 15 C -0.9495 0.3711 -1.8579 C.2 0 UNK0 -0.2080 16 C -0.8962 -1.0864 -1.9294 C.2 0 UNK0 0.0902 17 CG 2.2520 2.7747 -0.7929 C.3 1 LEU1 -0.0569 18 CB 1.8994 1.5046 0.0003 C.3 1 LEU1 -0.3317 19 CA 3.0683 0.5014 0.0196 C.3 1 LEU1 0.0376 20 CD1 2.2597 2.4976 -2.2998 C.3 1 LEU1 -0.4518 21 CD2 1.2378 3.8796 -0.4718 C.3 1 LEU1 -0.4529 22 C -0.8671 -1.5952 -3.3411 C.3 0 UNK0 -0.4608 23 C -0.7765 -1.9579 -0.9141 C.2 0 UNK0 -0.2520 24 C 4.1560 1.0513 0.9349 C.2 1 LEU1 0.6131 25 C -0.7304 -1.6215 0.4965 C.2 0 UNK0 -0.0779 26 C 2.5144 -1.8739 -0.3581 C.2 0 UNK0 0.6230 27 C 0.0713 -2.2361 1.3779 C.2 0 UNK0 -0.2624 28 C 2.0876 -3.1484 0.2547 C.2 0 UNK0 -0.3429 29 C 0.9987 -3.3123 1.0181 C.2 0 UNK0 0.1335 30 C 0.6358 -4.6453 1.5858 C.3 0 UNK0 -0.4629 31 H -3.6113 1.3771 3.0951 H 0 UNK0 0.1362 32 H -2.9620 -0.1381 2.4622 H 0 UNK0 0.1408 33 H -5.4846 -0.1550 2.5181 H 0 UNK0 0.1319 34 H -5.5308 1.2503 1.4528 H 0 UNK0 0.1400 35 H -4.5452 -1.5919 0.8125 H 0 UNK0 0.1525 36 H -5.8223 -0.6685 0.0112 H 0 UNK0 0.1453 37 H -0.7753 2.3906 0.8689 H 0 UNK0 0.1520 38 H -0.8013 0.8187 1.6683 H 0 UNK0 0.1486 39 H -1.3317 2.2636 2.5377 H 0 UNK0 0.1465 40 H -4.4509 2.8102 0.4266 H 0 UNK0 0.1480 41 H -2.8646 3.5308 0.1605 H 0 UNK0 0.1432 42 H -3.5396 3.4697 1.7924 H 0 UNK0 0.1428 43 H -1.7020 2.2522 -1.3006 H 0 UNK0 0.1470 44 H -5.0068 -0.8723 -2.1441 H 0 UNK0 0.1486 45 H -3.4580 -0.1949 -2.6515 H 0 UNK0 0.1633 46 H -3.5038 -1.7653 -1.8428 H 0 UNK0 0.1666 47 H -0.1907 0.8387 -2.5050 H 0 UNK0 0.1617 48 HG 3.2697 3.1261 -0.4885 H 1 LEU1 0.1403 49 HB1 1.0091 1.0121 -0.4464 H 1 LEU1 0.1755 50 HB2 1.6022 1.7628 1.0347 H 1 LEU1 0.1552 51 HA 3.5003 0.3852 -1.0220 H 1 LEU1 0.2066 52 HD11 2.9542 1.6900 -2.5615 H 1 LEU1 0.1519 53 HD12 2.5696 3.3846 -2.8627 H 1 LEU1 0.1432 54 HD13 1.2690 2.2054 -2.6637 H 1 LEU1 0.1426 55 HD21 1.4779 4.8021 -1.0121 H 1 LEU1 0.1440 56 HD22 1.2304 4.1215 0.5961 H 1 LEU1 0.1407 57 HD23 0.2213 3.5894 -0.7588 H 1 LEU1 0.1437 58 H -1.2490 -2.6200 -3.4271 H 0 UNK0 0.1537 59 H -1.4527 -0.9682 -4.0251 H 0 UNK0 0.1547 60 H 0.1720 -1.6102 -3.7135 H 0 UNK0 0.1752 61 H -0.6732 -3.0267 -1.1285 H 0 UNK0 0.1639 62 H 2.3388 -0.8538 1.4728 H 1 LEU1 0.3262 63 H -1.4206 -0.8329 0.8177 H 0 UNK0 0.1692 64 H 2.7431 -3.9796 -0.0100 H 0 UNK0 0.1829 65 H 0.0564 -1.9808 2.4373 H 0 UNK0 0.1600 66 H 4.5005 1.2209 2.8728 H 1 LEU1 0.3555 67 H 0.7090 -4.6416 2.6834 H 0 UNK0 0.1630 68 H 1.2782 -5.4571 1.2206 H 0 UNK0 0.1577 69 H -0.4017 -4.9142 1.3341 H 0 UNK0 0.1664 @BOND 1 1 24 1 2 1 66 1 3 2 24 2 4 3 26 2 5 4 19 1 6 4 26 am 7 4 62 1 8 5 6 1 9 5 8 1 10 5 11 1 11 5 12 1 12 6 7 1 13 6 31 1 14 6 32 1 15 7 9 1 16 7 33 1 17 7 34 1 18 8 10 2 19 8 13 1 20 9 10 1 21 9 35 1 22 9 36 1 23 10 14 1 24 11 37 1 25 11 38 1 26 11 39 1 27 12 40 1 28 12 41 1 29 12 42 1 30 13 15 2 31 13 43 1 32 14 44 1 33 14 45 1 34 14 46 1 35 15 16 1 36 15 47 1 37 16 22 1 38 16 23 2 39 17 18 1 40 17 20 1 41 17 21 1 42 17 48 1 43 18 19 1 44 18 49 1 45 18 50 1 46 19 24 1 47 19 51 1 48 20 52 1 49 20 53 1 50 20 54 1 51 21 55 1 52 21 56 1 53 21 57 1 54 22 58 1 55 22 59 1 56 22 60 1 57 23 25 1 58 23 61 1 59 25 27 2 60 25 63 1 61 26 28 1 62 27 29 1 63 27 65 1 64 28 29 2 65 28 64 1 66 29 30 1 67 30 67 1 68 30 68 1 69 30 69 1