@MOLECULE (4r)-3-{(2s,3s)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-n-(2-methyl-2-propanyl)-1,3-thiazolidine-4-carboxamide 74 76 0 0 0 SMALL USER_CHARGES @ATOM 1 S 2.5853 -2.9547 -1.5657 S.3 1 UNL11111111 -0.0542 2 O 3.0363 0.4542 -1.0325 O.2 1 UNL11111111 -0.5237 3 O -0.7935 -0.7730 2.7842 O.3 1 UNL11111111 -0.4995 4 O 1.8042 -0.1933 2.3611 O.2 1 UNL11111111 -0.4928 5 O -2.0235 -1.0509 -1.3662 O.2 1 UNL11111111 -0.5126 6 O -7.1243 -2.5883 0.4398 O.3 1 UNL11111111 -0.4687 7 N 1.8510 -1.5112 0.5448 N.am 1 UNL11111111 -0.5090 8 N 4.8956 0.4808 0.2774 N.am 1 UNL11111111 -0.6421 9 N -2.3228 0.2372 0.4653 N.am 1 UNL11111111 -0.6242 10 C 3.8593 -2.6421 -0.2416 C.3 1 UNL11111111 0.0567 11 C 3.3140 -1.3991 0.5052 C.3 1 UNL11111111 -0.0325 12 C 1.2432 -2.0433 -0.6733 C.3 1 UNL11111111 -0.1011 13 C 3.9084 -3.8293 0.7149 C.3 1 UNL11111111 -0.4624 14 C 5.2118 -2.4154 -0.8885 C.3 1 UNL11111111 -0.4739 15 C 3.7146 -0.0656 -0.1744 C.2 1 UNL11111111 0.5675 16 C 1.1699 -0.7800 1.5123 C.2 1 UNL11111111 0.5564 17 C -0.3570 -0.8123 1.4435 C.3 1 UNL11111111 0.0301 18 C 5.4410 1.7600 -0.2438 C.3 1 UNL11111111 0.3391 19 C -0.8765 0.4194 0.6439 C.3 1 UNL11111111 0.0658 20 C -0.5901 1.7273 1.4028 C.3 1 UNL11111111 -0.3293 21 C 6.7503 2.0455 0.5209 C.3 1 UNL11111111 -0.4950 22 C 5.7408 1.6289 -1.7456 C.3 1 UNL11111111 -0.4908 23 C 4.4425 2.9032 0.0030 C.3 1 UNL11111111 -0.4877 24 C -1.1692 2.8987 0.6718 C.ar 1 UNL11111111 0.0241 25 C -2.7933 -0.4901 -0.6156 C.2 1 UNL11111111 0.5921 26 C -0.4202 3.5408 -0.3166 C.ar 1 UNL11111111 -0.1628 27 C -2.4597 3.3472 0.9673 C.ar 1 UNL11111111 -0.1931 28 C -4.2812 -0.5718 -0.6797 C.ar 1 UNL11111111 -0.0894 29 C -0.9570 4.6304 -0.9968 C.ar 1 UNL11111111 -0.1309 30 C -3.0042 4.4208 0.2699 C.ar 1 UNL11111111 -0.1356 31 C -4.9492 -1.6282 -0.0583 C.ar 1 UNL11111111 -0.0842 32 C -2.2497 5.0672 -0.7084 C.ar 1 UNL11111111 -0.1666 33 C -4.9741 0.4255 -1.3623 C.ar 1 UNL11111111 -0.1839 34 C -6.3509 -1.6351 -0.1396 C.ar 1 UNL11111111 0.2515 35 C -4.2299 -2.7077 0.6706 C.3 1 UNL11111111 -0.4462 36 C -6.3666 0.3850 -1.4356 C.ar 1 UNL11111111 -0.0970 37 C -7.0676 -0.6452 -0.8196 C.ar 1 UNL11111111 -0.2171 38 H 3.6900 -1.3990 1.5674 H 1 UNL11111111 0.1835 39 H 0.8480 -1.2446 -1.3444 H 1 UNL11111111 0.1822 40 H 0.4217 -2.7509 -0.4316 H 1 UNL11111111 0.1605 41 H 4.1615 -4.7672 0.2037 H 1 UNL11111111 0.1591 42 H 4.6621 -3.6819 1.5000 H 1 UNL11111111 0.1499 43 H 2.9458 -3.9926 1.2217 H 1 UNL11111111 0.1679 44 H 5.2049 -1.5971 -1.6259 H 1 UNL11111111 0.1731 45 H 5.9755 -2.1612 -0.1429 H 1 UNL11111111 0.1532 46 H 5.5742 -3.3088 -1.4169 H 1 UNL11111111 0.1651 47 H -0.7353 -1.7617 0.9936 H 1 UNL11111111 0.1510 48 H -0.3733 0.4441 -0.3639 H 1 UNL11111111 0.1788 49 H 5.3948 0.0610 1.0449 H 1 UNL11111111 0.3090 50 H 0.5128 1.8375 1.5365 H 1 UNL11111111 0.1901 51 H -0.9663 1.6700 2.4457 H 1 UNL11111111 0.1730 52 H 6.5746 2.1510 1.5970 H 1 UNL11111111 0.1540 53 H 7.1983 2.9840 0.1729 H 1 UNL11111111 0.1579 54 H 7.4944 1.2564 0.3673 H 1 UNL11111111 0.1504 55 H 6.2027 2.5411 -2.1349 H 1 UNL11111111 0.1488 56 H 6.4124 0.7914 -1.9556 H 1 UNL11111111 0.1483 57 H 4.8146 1.4607 -2.3157 H 1 UNL11111111 0.1791 58 H 3.5120 2.7375 -0.5608 H 1 UNL11111111 0.1791 59 H 4.8544 3.8681 -0.3080 H 1 UNL11111111 0.1462 60 H 4.1694 2.9755 1.0603 H 1 UNL11111111 0.1570 61 H -2.9389 0.8293 0.9992 H 1 UNL11111111 0.3186 62 H -1.7691 -0.6306 2.8000 H 1 UNL11111111 0.3141 63 H 0.5833 3.1890 -0.5558 H 1 UNL11111111 0.1642 64 H -3.0400 2.8717 1.7541 H 1 UNL11111111 0.1428 65 H -0.3704 5.1452 -1.7567 H 1 UNL11111111 0.1492 66 H -4.0164 4.7600 0.4861 H 1 UNL11111111 0.1468 67 H -2.6652 5.9176 -1.2422 H 1 UNL11111111 0.1469 68 H -4.4320 1.2366 -1.8465 H 1 UNL11111111 0.1671 69 H -4.4659 -2.7044 1.7447 H 1 UNL11111111 0.1554 70 H -3.1341 -2.6196 0.5866 H 1 UNL11111111 0.1767 71 H -4.4699 -3.7053 0.2699 H 1 UNL11111111 0.1609 72 H -6.9078 1.1639 -1.9734 H 1 UNL11111111 0.1582 73 H -8.1545 -0.6949 -0.8539 H 1 UNL11111111 0.1757 74 H -6.5967 -3.2561 0.9416 H 1 UNL11111111 0.3291 @BOND 1 57 22 1 2 55 22 1 3 72 36 1 4 56 22 1 5 68 33 1 6 65 29 1 7 22 18 1 8 44 14 1 9 1 12 1 10 1 10 1 11 36 33 ar 12 36 37 ar 13 46 14 1 14 33 28 ar 15 5 25 2 16 39 12 1 17 67 32 1 18 2 15 2 19 29 32 ar 20 29 26 ar 21 14 10 1 22 14 45 1 23 73 37 1 24 37 34 ar 25 32 30 ar 26 12 40 1 27 12 7 1 28 28 25 1 29 28 31 ar 30 25 9 am 31 58 23 1 32 63 26 1 33 48 19 1 34 26 24 ar 35 59 23 1 36 18 23 1 37 18 8 1 38 18 21 1 39 10 11 1 40 10 13 1 41 15 8 am 42 15 11 1 43 34 31 ar 44 34 6 1 45 31 35 1 46 23 60 1 47 53 21 1 48 41 13 1 49 30 66 1 50 30 27 ar 51 71 35 1 52 8 49 1 53 54 21 1 54 6 74 1 55 9 19 1 56 9 61 1 57 11 7 1 58 11 38 1 59 21 52 1 60 7 16 am 61 70 35 1 62 19 20 1 63 19 17 1 64 35 69 1 65 24 27 ar 66 24 20 1 67 13 43 1 68 13 42 1 69 27 64 1 70 47 17 1 71 20 50 1 72 20 51 1 73 17 16 1 74 17 3 1 75 16 4 2 76 3 62 1