@MOLECULE (9cis,13cis)-15-[(2-oxotetrahydro-3-thiophenyl)amino]retinal 61 62 0 0 0 SMALL GASTEIGER @ATOM 1 S -8.3079 1.9946 0.4203 S.3 1 UNL1111111111 -0.0675 2 O -6.0710 2.2130 -1.0189 O.2 1 UNL1111111111 -0.3750 3 O -4.9572 -2.0754 -0.6815 O.2 1 UNL1111111111 -0.5590 4 N -4.9159 -0.0415 0.2778 N.am 1 UNL1111111111 -0.6137 5 C 6.8448 1.2565 -0.5068 C.3 1 UNL1111111111 0.1187 6 C 8.3437 1.2620 -0.1287 C.3 1 UNL1111111111 -0.2912 7 C 8.8238 -0.1347 0.2705 C.3 1 UNL1111111111 -0.2616 8 C 6.0384 0.4271 0.4668 C.2 1 UNL1111111111 -0.1176 9 C 8.0594 -0.6032 1.5137 C.3 1 UNL1111111111 -0.2821 10 C 6.5815 -0.4107 1.3629 C.2 1 UNL1111111111 0.0279 11 C 6.6692 0.6715 -1.9203 C.3 1 UNL1111111111 -0.4605 12 C 6.3422 2.7140 -0.4965 C.3 1 UNL1111111111 -0.4643 13 C 4.5839 0.5883 0.3557 C.2 1 UNL1111111111 -0.1029 14 C 5.7558 -1.2292 2.3017 C.3 1 UNL1111111111 -0.4572 15 C 3.8301 -0.2114 -0.4092 C.2 1 UNL1111111111 -0.2167 16 C 2.3803 -0.0632 -0.5471 C.2 1 UNL1111111111 0.0896 17 C -6.3551 0.0890 0.1243 C.3 1 UNL1111111111 -0.0038 18 C -7.0995 -0.2083 1.4463 C.3 1 UNL1111111111 -0.3003 19 C -8.4762 0.4420 1.3949 C.3 1 UNL1111111111 -0.3170 20 C -6.7202 1.5076 -0.3116 C.2 1 UNL1111111111 0.3773 21 C 1.8659 1.3133 -0.8025 C.3 1 UNL1111111111 -0.4593 22 C 1.5884 -1.1500 -0.4467 C.2 1 UNL1111111111 -0.2588 23 C -4.2779 -1.1856 -0.2004 C.2 1 UNL1111111111 0.6256 24 C 0.1449 -1.1234 -0.5705 C.2 1 UNL1111111111 -0.0726 25 C -2.8207 -1.2132 -0.0495 C.2 1 UNL1111111111 -0.4024 26 C -2.0664 -2.2133 -0.5520 C.2 1 UNL1111111111 0.2022 27 C -0.6130 -2.2195 -0.3929 C.2 1 UNL1111111111 -0.2447 28 C -2.6359 -3.3726 -1.2867 C.3 1 UNL1111111111 -0.4746 29 H 8.5114 1.9634 0.7108 H 1 UNL1111111111 0.1415 30 H 8.9414 1.6480 -0.9733 H 1 UNL1111111111 0.1374 31 H 8.6669 -0.8463 -0.5619 H 1 UNL1111111111 0.1410 32 H 9.9110 -0.1278 0.4665 H 1 UNL1111111111 0.1323 33 H 8.4083 -0.0412 2.4061 H 1 UNL1111111111 0.1496 34 H 8.2932 -1.6671 1.7191 H 1 UNL1111111111 0.1448 35 H 7.2500 1.2321 -2.6586 H 1 UNL1111111111 0.1446 36 H 6.9957 -0.3732 -1.9565 H 1 UNL1111111111 0.1475 37 H 5.6196 0.6976 -2.2341 H 1 UNL1111111111 0.1504 38 H 6.3456 3.1264 0.5178 H 1 UNL1111111111 0.1465 39 H 5.3198 2.7873 -0.8822 H 1 UNL1111111111 0.1471 40 H 6.9737 3.3534 -1.1217 H 1 UNL1111111111 0.1462 41 H 4.1637 1.4084 0.9409 H 1 UNL1111111111 0.1530 42 H 5.6729 -2.2655 1.9420 H 1 UNL1111111111 0.1589 43 H 4.7310 -0.8470 2.4103 H 1 UNL1111111111 0.1587 44 H 6.1930 -1.2628 3.3082 H 1 UNL1111111111 0.1528 45 H 4.2721 -1.0387 -0.9690 H 1 UNL1111111111 0.1643 46 H -6.7127 -0.6305 -0.6776 H 1 UNL1111111111 0.2043 47 H -6.5113 0.1560 2.3118 H 1 UNL1111111111 0.1603 48 H -7.1762 -1.3041 1.5945 H 1 UNL1111111111 0.1700 49 H -8.8602 0.6794 2.4019 H 1 UNL1111111111 0.1657 50 H -9.2237 -0.2153 0.9153 H 1 UNL1111111111 0.1655 51 H 1.1905 1.3400 -1.6708 H 1 UNL1111111111 0.1640 52 H 1.3032 1.6950 0.0625 H 1 UNL1111111111 0.1630 53 H 2.6706 2.0329 -1.0092 H 1 UNL1111111111 0.1592 54 H -4.4073 0.7532 0.6239 H 1 UNL1111111111 0.3173 55 H 2.0324 -2.1298 -0.2551 H 1 UNL1111111111 0.1589 56 H -0.3098 -0.1646 -0.8353 H 1 UNL1111111111 0.1518 57 H -2.3668 -0.3916 0.4986 H 1 UNL1111111111 0.1708 58 H -0.1761 -3.1860 -0.1394 H 1 UNL1111111111 0.1644 59 H -1.8801 -4.0508 -1.6975 H 1 UNL1111111111 0.1534 60 H -3.2804 -3.0409 -2.1224 H 1 UNL1111111111 0.1901 61 H -3.3108 -3.9611 -0.6387 H 1 UNL1111111111 0.1861 @BOND 1 1 19 1 2 1 20 1 3 2 20 2 4 3 23 2 5 4 17 1 6 4 23 am 7 4 54 1 8 5 6 1 9 5 8 1 10 5 11 1 11 5 12 1 12 6 7 1 13 6 29 1 14 6 30 1 15 7 9 1 16 7 31 1 17 7 32 1 18 8 10 2 19 8 13 1 20 9 10 1 21 9 33 1 22 9 34 1 23 10 14 1 24 11 35 1 25 11 36 1 26 11 37 1 27 12 38 1 28 12 39 1 29 12 40 1 30 13 15 2 31 13 41 1 32 14 42 1 33 14 43 1 34 14 44 1 35 15 16 1 36 15 45 1 37 16 21 1 38 16 22 2 39 17 18 1 40 17 20 1 41 17 46 1 42 18 19 1 43 18 47 1 44 18 48 1 45 19 49 1 46 19 50 1 47 21 51 1 48 21 52 1 49 21 53 1 50 22 24 1 51 22 55 1 52 23 25 1 53 24 27 2 54 24 56 1 55 25 26 2 56 25 57 1 57 26 27 1 58 26 28 1 59 27 58 1 60 28 59 1 61 28 60 1 62 28 61 1