@MOLECULE l-gamma-glutamyl-s-[(5alpha,8alpha)-3-hydroxy-17-methyl-6-oxo-4,5-epoxymorphinan-8-yl]-l-cysteinylglycine 75 79 0 0 0 SMALL GASTEIGER @ATOM 1 SG 0.3084 0.4253 0.6677 S.3 1 UNL111111111 -0.0024 2 O 4.5873 -0.6568 -0.3553 O.3 1 UNL111111111 -0.2310 3 O 3.9468 1.4664 1.1001 O.2 1 UNL111111111 -0.4368 4 O 4.6247 -0.1355 -3.1730 O.3 1 UNL111111111 -0.4282 5 O -1.0910 3.5468 -1.1134 O.2 1 UNL111111111 -0.5183 6 O -4.0662 1.6915 1.8526 O.2 1 UNL111111111 -0.5487 7 O 2.3495 3.4123 0.0157 O.3 1 UNL111111111 -0.5597 8 OXT 3.1133 5.2099 -1.0998 O.2 1 UNL111111111 -0.4967 9 O -5.6280 -1.4572 -2.2306 O.3 1 UNL111111111 -0.5976 10 OXT -6.3586 -2.7825 -0.6026 O.2 1 UNL111111111 -0.4536 11 N 1.1823 -4.2085 1.3657 N.3 1 UNL111111111 -0.4428 12 N -2.5629 1.7673 0.1704 N.am 1 UNL111111111 -0.5991 13 N 0.0627 4.3154 0.6808 N.am 1 UNL111111111 -0.5449 14 N -8.2431 -0.6893 -0.0122 N.3 1 UNL111111111 -0.6426 15 C 2.9331 -1.9852 0.7949 C.3 1 UNL111111111 0.0251 16 C 1.6776 -1.8893 1.6638 C.3 1 UNL111111111 -0.1520 17 C 0.6333 -2.8668 1.0276 C.3 1 UNL111111111 0.0662 18 C 4.0384 -0.9049 0.9713 C.3 1 UNL111111111 -0.0536 19 C 3.5113 -3.4004 1.0131 C.3 1 UNL111111111 -0.2905 20 C 2.5951 -1.7656 -0.6446 C.ar 1 UNL111111111 -0.1284 21 C 1.2000 -0.4827 2.0138 C.3 1 UNL111111111 -0.1446 22 C 0.3164 -2.6815 -0.4890 C.3 1 UNL111111111 -0.3253 23 C 2.4656 -4.4835 0.6732 C.3 1 UNL111111111 -0.1023 24 C 1.4290 -2.1093 -1.2990 C.ar 1 UNL111111111 0.0180 25 C 2.3879 0.3490 2.5059 C.3 1 UNL111111111 -0.3941 26 C 3.4836 0.4216 1.4716 C.2 1 UNL111111111 0.4740 27 C 3.6280 -1.0481 -1.2495 C.ar 1 UNL111111111 0.1166 28 C 0.2090 -5.2909 1.1282 C.3 1 UNL111111111 -0.2742 29 C 1.3613 -1.8203 -2.6678 C.ar 1 UNL111111111 -0.1679 30 C 3.5671 -0.7759 -2.6128 C.ar 1 UNL111111111 0.1885 31 C 2.4253 -1.1870 -3.3152 C.ar 1 UNL111111111 -0.2252 32 CB -0.7090 1.5081 1.7681 C.3 1 UNL111111111 -0.3492 33 CA -1.5920 2.4853 0.9907 C.3 1 UNL111111111 0.0137 34 C -0.8178 3.4403 0.0644 C.2 1 ACE111111111 0.5548 35 C -3.7951 1.4326 0.6981 C.2 1 UNL111111111 0.5987 36 C -4.6948 0.6887 -0.2611 C.3 1 UNL111111111 -0.3657 37 CA 0.8520 5.1951 -0.1847 C.3 1 UNL111111111 -0.1501 38 C -6.0078 0.2820 0.4055 C.3 1 UNL111111111 -0.2623 39 C 2.2344 4.6430 -0.5086 C.2 1 UNL111111111 0.6138 40 CA -6.9453 -0.3678 -0.6330 C.3 1 UNL111111111 -0.0055 41 C -6.3269 -1.6856 -1.0769 C.2 1 UNL111111111 0.6124 42 H 1.9282 -2.3529 2.6696 H 1 UNL111111111 0.1744 43 H -0.3303 -2.7574 1.5887 H 1 UNL111111111 0.1383 44 H 4.9082 -1.2342 1.5688 H 1 UNL111111111 0.1726 45 H 4.4106 -3.5515 0.3865 H 1 UNL111111111 0.1554 46 H 3.8353 -3.5127 2.0660 H 1 UNL111111111 0.1494 47 H 0.4619 -0.5864 2.8509 H 1 UNL111111111 0.1552 48 H -0.0005 -3.6570 -0.9135 H 1 UNL111111111 0.1546 49 H -0.5766 -2.0268 -0.5903 H 1 UNL111111111 0.1717 50 H 2.3485 -4.5492 -0.4307 H 1 UNL111111111 0.1277 51 H 2.8303 -5.4746 1.0238 H 1 UNL111111111 0.1370 52 H 2.0834 1.3787 2.7907 H 1 UNL111111111 0.1764 53 H 2.8006 -0.0873 3.4415 H 1 UNL111111111 0.1707 54 H -0.7383 -5.0522 1.6391 H 1 UNL111111111 0.1470 55 H 0.5993 -6.2191 1.5782 H 1 UNL111111111 0.1470 56 H -0.0118 -5.4952 0.0659 H 1 UNL111111111 0.1206 57 H 0.4668 -2.0753 -3.2295 H 1 UNL111111111 0.1559 58 H 2.3547 -0.9891 -4.3828 H 1 UNL111111111 0.1599 59 HB1 -0.0532 2.0539 2.4660 H 1 UNL111111111 0.1499 60 HB2 -1.3687 0.8652 2.3914 H 1 UNL111111111 0.1789 61 HA -2.1467 3.1271 1.7496 H 1 UNL111111111 0.1890 62 H 4.4567 0.0682 -4.1270 H 1 UNL111111111 0.3179 63 H -2.3320 1.6507 -0.8102 H 1 UNL111111111 0.3404 64 H 0.5061 4.0624 1.5561 H 1 UNL111111111 0.3129 65 H -4.8940 1.3149 -1.1573 H 1 UNL111111111 0.1746 66 H -4.1578 -0.2110 -0.6410 H 1 UNL111111111 0.1818 67 HA1 0.3070 5.3801 -1.1524 H 1 UNL111111111 0.2068 68 HA2 0.9569 6.1917 0.3094 H 1 UNL111111111 0.1762 69 H -6.4971 1.1600 0.8739 H 1 UNL111111111 0.1686 70 H -5.8284 -0.4123 1.2549 H 1 UNL111111111 0.1806 71 HA -7.0528 0.3101 -1.5251 H 1 UNL111111111 0.1489 72 H1 -8.8785 -1.1299 -0.6568 H 1 UNL111111111 0.2604 73 H2 -8.6778 0.1167 0.4021 H 1 UNL111111111 0.2644 74 H 3.2106 2.9398 -0.1280 H 1 UNL111111111 0.3910 75 H -5.1983 -2.2612 -2.6035 H 1 UNL111111111 0.3554 @BOND 1 1 21 1 2 1 32 1 3 2 18 1 4 2 27 1 5 3 26 2 6 4 30 1 7 4 62 1 8 5 34 2 9 6 35 2 10 7 39 1 11 7 74 1 12 8 39 2 13 9 41 1 14 9 75 1 15 10 41 2 16 11 17 1 17 11 23 1 18 11 28 1 19 12 33 1 20 12 35 am 21 12 63 1 22 13 34 am 23 13 37 1 24 13 64 1 25 14 40 1 26 14 72 1 27 14 73 1 28 15 16 1 29 15 18 1 30 15 19 1 31 15 20 1 32 16 17 1 33 16 21 1 34 16 42 1 35 17 22 1 36 17 43 1 37 18 26 1 38 18 44 1 39 19 23 1 40 19 45 1 41 19 46 1 42 20 24 ar 43 20 27 ar 44 21 25 1 45 21 47 1 46 22 24 1 47 22 48 1 48 22 49 1 49 23 50 1 50 23 51 1 51 24 29 ar 52 25 26 1 53 25 52 1 54 25 53 1 55 27 30 ar 56 28 54 1 57 28 55 1 58 28 56 1 59 29 31 ar 60 29 57 1 61 30 31 ar 62 31 58 1 63 32 33 1 64 32 59 1 65 32 60 1 66 33 34 1 67 33 61 1 68 35 36 1 69 36 38 1 70 36 65 1 71 36 66 1 72 37 39 1 73 37 67 1 74 37 68 1 75 38 40 1 76 38 69 1 77 38 70 1 78 40 41 1 79 40 71 1