@MOLECULE (2s,3s,4r)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid 75 78 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.2528 -0.7077 -3.1560 O.3 1 UNL1111111111 -0.5455 2 O 1.6008 0.5380 -3.9806 O.2 1 UNL1111111111 -0.5212 3 O 5.0504 0.2862 2.5027 O.3 1 UNL1111111111 -0.3464 4 O -2.2677 3.1907 -0.1948 O.2 1 UNL1111111111 -0.5688 5 O 6.3703 2.1575 1.9414 O.3 1 UNL1111111111 -0.3421 6 O -0.6661 -5.6913 0.3848 O.3 1 UNL1111111111 -0.3214 7 N -0.6286 0.5140 -0.7261 N.3 1 UNL1111111111 -0.4178 8 N -3.6206 1.4007 0.0185 N.am 1 UNL1111111111 -0.4917 9 C 1.5957 -0.0742 -1.6218 C.3 1 UNL1111111111 -0.2264 10 C 1.6581 1.3309 -0.9782 C.3 1 UNL1111111111 -0.1356 11 C 0.0834 -0.4720 -1.5915 C.3 1 UNL1111111111 0.0599 12 C 0.3959 1.3676 -0.0787 C.3 1 UNL1111111111 -0.1176 13 C 2.9185 1.5752 -0.2104 C.ar 1 UNL1111111111 -0.0104 14 C -0.1043 -1.8480 -1.0073 C.ar 1 UNL1111111111 -0.0955 15 C -1.6121 1.3053 -1.4932 C.3 1 UNL1111111111 -0.1988 16 C 2.0949 -0.0166 -3.0328 C.2 1 UNL1111111111 0.6316 17 C 3.2947 0.6902 0.8236 C.ar 1 UNL1111111111 -0.2052 18 C -2.5059 2.0306 -0.4840 C.2 1 UNL1111111111 0.5807 19 C 3.6988 2.6824 -0.5344 C.ar 1 UNL1111111111 -0.1640 20 C -0.6760 -2.8506 -1.7987 C.ar 1 UNL1111111111 -0.0963 21 C 0.2755 -2.1316 0.3035 C.ar 1 UNL1111111111 -0.0589 22 C 4.4668 0.9822 1.4738 C.ar 1 UNL1111111111 0.1402 23 C 4.8993 2.9761 0.1392 C.ar 1 UNL1111111111 -0.1743 24 C 5.2586 2.1057 1.1376 C.ar 1 UNL1111111111 0.1209 25 C -0.8532 -4.1297 -1.2940 C.ar 1 UNL1111111111 -0.2538 26 C 0.1197 -3.4126 0.8293 C.ar 1 UNL1111111111 -0.3002 27 C -4.4567 2.1296 0.9867 C.3 1 UNL1111111111 -0.0723 28 C -3.8346 -0.0482 -0.0547 C.3 1 UNL1111111111 -0.0566 29 C -0.4460 -4.3994 0.0227 C.ar 1 UNL1111111111 0.2522 30 C -5.7664 2.5767 0.3111 C.3 1 UNL1111111111 -0.2925 31 C -3.1241 -0.7925 1.0914 C.3 1 UNL1111111111 -0.3111 32 C 6.2627 1.0104 2.8134 C.3 1 UNL1111111111 0.1586 33 C -6.6295 3.3588 1.3062 C.3 1 UNL1111111111 -0.2513 34 C -3.4588 -2.2861 1.0426 C.3 1 UNL1111111111 -0.2496 35 C -7.9338 3.8117 0.6506 C.3 1 UNL1111111111 -0.4365 36 C -2.9880 -2.9852 2.3184 C.3 1 UNL1111111111 -0.4392 37 C -0.3381 -6.0579 1.7173 C.3 1 UNL1111111111 -0.2032 38 H 2.2024 -0.8079 -1.0339 H 1 UNL1111111111 0.1964 39 H 1.5377 2.1070 -1.7786 H 1 UNL1111111111 0.1664 40 H -0.3257 -0.4478 -2.6365 H 1 UNL1111111111 0.1503 41 H 0.0369 2.4043 0.0899 H 1 UNL1111111111 0.1713 42 H 0.5961 0.9377 0.9259 H 1 UNL1111111111 0.1529 43 H -2.2126 0.6379 -2.1473 H 1 UNL1111111111 0.1573 44 H -1.1482 2.0710 -2.1589 H 1 UNL1111111111 0.1618 45 H 2.6930 -0.1738 1.0864 H 1 UNL1111111111 0.1765 46 H 3.3829 3.3540 -1.3335 H 1 UNL1111111111 0.1646 47 H -0.9856 -2.6320 -2.8210 H 1 UNL1111111111 0.1532 48 H 0.6928 -1.3418 0.9299 H 1 UNL1111111111 0.1575 49 H 5.4995 3.8415 -0.1214 H 1 UNL1111111111 0.1742 50 H 3.6382 -0.6861 -4.0670 H 1 UNL1111111111 0.3544 51 H -1.2940 -4.9215 -1.8935 H 1 UNL1111111111 0.1707 52 H 0.4342 -3.6216 1.8451 H 1 UNL1111111111 0.1617 53 H -4.6696 1.4879 1.8681 H 1 UNL1111111111 0.1311 54 H -3.9030 3.0232 1.3667 H 1 UNL1111111111 0.1688 55 H -3.4744 -0.4354 -1.0337 H 1 UNL1111111111 0.1426 56 H -4.9311 -0.2435 -0.0225 H 1 UNL1111111111 0.1383 57 H -5.5335 3.2040 -0.5712 H 1 UNL1111111111 0.1544 58 H -6.3178 1.7030 -0.0783 H 1 UNL1111111111 0.1384 59 H -2.0254 -0.6448 1.0039 H 1 UNL1111111111 0.1759 60 H -3.4093 -0.3615 2.0666 H 1 UNL1111111111 0.1410 61 H 7.1127 0.3471 2.6016 H 1 UNL1111111111 0.1424 62 H 6.1774 1.3795 3.8447 H 1 UNL1111111111 0.1416 63 H -6.8484 2.7371 2.1945 H 1 UNL1111111111 0.1319 64 H -6.0720 4.2401 1.6795 H 1 UNL1111111111 0.1399 65 H -2.9738 -2.7500 0.1598 H 1 UNL1111111111 0.1430 66 H -4.5455 -2.4391 0.9113 H 1 UNL1111111111 0.1303 67 H -8.5240 2.9586 0.2993 H 1 UNL1111111111 0.1402 68 H -8.5562 4.3769 1.3528 H 1 UNL1111111111 0.1399 69 H -7.7427 4.4584 -0.2136 H 1 UNL1111111111 0.1453 70 H -3.4841 -2.5777 3.2054 H 1 UNL1111111111 0.1409 71 H -3.2001 -4.0587 2.2818 H 1 UNL1111111111 0.1370 72 H -1.9068 -2.8644 2.4564 H 1 UNL1111111111 0.1450 73 H -0.6260 -7.1182 1.7433 H 1 UNL1111111111 0.1542 74 H -0.9284 -5.4834 2.4380 H 1 UNL1111111111 0.1337 75 H 0.7357 -5.9494 1.8992 H 1 UNL1111111111 0.1355 @BOND 1 1 16 1 2 1 50 1 3 2 16 2 4 3 22 1 5 3 32 1 6 4 18 2 7 5 24 1 8 5 32 1 9 6 29 1 10 6 37 1 11 7 11 1 12 7 12 1 13 7 15 1 14 8 18 am 15 8 27 1 16 8 28 1 17 9 10 1 18 9 11 1 19 9 16 1 20 9 38 1 21 10 12 1 22 10 13 1 23 10 39 1 24 11 14 1 25 11 40 1 26 12 41 1 27 12 42 1 28 13 17 ar 29 13 19 ar 30 14 20 ar 31 14 21 ar 32 15 18 1 33 15 43 1 34 15 44 1 35 17 22 ar 36 17 45 1 37 19 23 ar 38 19 46 1 39 20 25 ar 40 20 47 1 41 21 26 ar 42 21 48 1 43 22 24 ar 44 23 24 ar 45 23 49 1 46 25 29 ar 47 25 51 1 48 26 29 ar 49 26 52 1 50 27 30 1 51 27 53 1 52 27 54 1 53 28 31 1 54 28 55 1 55 28 56 1 56 30 33 1 57 30 57 1 58 30 58 1 59 31 34 1 60 31 59 1 61 31 60 1 62 32 61 1 63 32 62 1 64 33 35 1 65 33 63 1 66 33 64 1 67 34 36 1 68 34 65 1 69 34 66 1 70 35 67 1 71 35 68 1 72 35 69 1 73 36 70 1 74 36 71 1 75 36 72 1 76 37 73 1 77 37 74 1 78 37 75 1