@MOLECULE (4r)-4-[(2-chlorophenyl)sulfonyl]-n-[1-(iminomethyl)cyclopropyl]-1-{[1-(4-methylphenyl)cyclopropyl]carbonyl}-l-prolinamide 63 67 0 0 0 SMALL GASTEIGER @ATOM 1 CL 3.2969 0.2469 0.4428 Cl 1 UNL111111111 -0.0457 2 C -1.9158 -0.2918 -1.5325 C.3 1 UNL111111111 0.0153 3 C -3.0836 -0.9814 -0.7892 C.2 1 UNL111111111 0.5528 4 N -4.1148 -0.1492 -0.4329 N.am 1 UNL111111111 -0.5860 5 C -5.2686 -0.6250 0.2895 C.3 1 UNL111111111 0.1547 6 C -4.9131 -1.3813 1.5381 C.2 1 UNL111111111 0.0790 7 O -3.0934 -2.1743 -0.5608 O.2 1 UNL111111111 -0.5534 8 C -6.5235 0.2300 0.2193 C.3 1 UNL111111111 -0.3045 9 C -6.4869 -1.0918 -0.5039 C.3 1 UNL111111111 -0.3253 10 N -5.3692 -0.9764 2.6628 N.2 1 UNL111111111 -0.5011 11 N -1.1911 0.5707 -0.5852 N.am 1 UNL111111111 -0.4924 12 C 0.1365 0.0136 -0.2584 C.3 1 UNL111111111 -0.0548 13 C 0.1110 -1.4209 -0.8177 C.3 1 UNL111111111 -0.4310 14 C -0.8845 -1.3450 -1.9894 C.3 1 UNL111111111 -0.2481 15 S 1.7225 -2.0494 -1.3302 S.O2 1 UNL111111111 2.1934 16 C 2.5599 -2.3464 0.2098 C.ar 1 UNL111111111 -0.4277 17 C 3.2363 -1.3837 0.9452 C.ar 1 UNL111111111 0.0788 18 C 3.8889 -1.6808 2.1386 C.ar 1 UNL111111111 -0.2029 19 C 3.8646 -2.9910 2.6097 C.ar 1 UNL111111111 -0.0846 20 C 3.1953 -3.9782 1.8868 C.ar 1 UNL111111111 -0.1885 21 C 2.5524 -3.6578 0.6922 C.ar 1 UNL111111111 -0.0475 22 O 1.5003 -3.3508 -1.9237 O.2 1 UNL111111111 -0.8965 23 O 2.4111 -1.0149 -2.0631 O.2 1 UNL111111111 -0.8755 24 C -1.6025 1.8573 -0.3401 C.2 1 UNL111111111 0.6005 25 O -2.6618 2.2322 -0.8256 O.2 1 UNL111111111 -0.5939 26 C -1.5837 3.9283 1.1516 C.3 1 UNL111111111 -0.2605 27 C -0.8147 2.7330 0.5927 C.3 1 UNL111111111 -0.1263 28 C -1.3316 2.7376 2.0278 C.3 1 UNL111111111 -0.2947 29 C 2.3251 3.2236 -1.4188 C.ar 1 UNL111111111 -0.1655 30 C 3.3130 3.1908 -0.4282 C.ar 1 UNL111111111 0.0560 31 C 2.9397 3.0612 0.9099 C.ar 1 UNL111111111 -0.1825 32 C 1.5976 2.9077 1.2518 C.ar 1 UNL111111111 -0.1491 33 C 0.6137 2.9125 0.2627 C.ar 1 UNL111111111 -0.0268 34 C 0.9854 3.1011 -1.0747 C.ar 1 UNL111111111 -0.1512 35 C 4.7494 3.2701 -0.8139 C.3 1 UNL111111111 -0.4605 36 H -2.3200 0.3033 -2.3908 H 1 UNL111111111 0.1713 37 H -4.0403 0.8622 -0.5748 H 1 UNL111111111 0.3554 38 H -4.2658 -2.2553 1.3582 H 1 UNL111111111 0.1599 39 H -7.1219 0.3424 1.1249 H 1 UNL111111111 0.1828 40 H -6.5170 1.1597 -0.3430 H 1 UNL111111111 0.1633 41 H -6.4347 -1.1156 -1.5893 H 1 UNL111111111 0.1682 42 H -7.0705 -1.9312 -0.1376 H 1 UNL111111111 0.1635 43 H -5.1465 -1.4775 3.5085 H 1 UNL111111111 0.2566 44 H 0.9271 0.6383 -0.7469 H 1 UNL111111111 0.1778 45 H 0.2931 0.0470 0.8400 H 1 UNL111111111 0.1479 46 H -0.3166 -2.1139 -0.0482 H 1 UNL111111111 0.1900 47 H -1.3606 -2.3280 -2.1884 H 1 UNL111111111 0.1875 48 H -0.4094 -1.0269 -2.9368 H 1 UNL111111111 0.1610 49 H 4.4150 -0.9076 2.6974 H 1 UNL111111111 0.1694 50 H 4.3703 -3.2441 3.5411 H 1 UNL111111111 0.1506 51 H 3.1797 -5.0034 2.2533 H 1 UNL111111111 0.1591 52 H 2.0480 -4.4587 0.1318 H 1 UNL111111111 0.1866 53 H -1.0509 4.8600 1.3224 H 1 UNL111111111 0.1630 54 H -2.5897 4.1265 0.7742 H 1 UNL111111111 0.1844 55 H -0.6321 2.8032 2.8567 H 1 UNL111111111 0.1622 56 H -2.1580 2.0775 2.2940 H 1 UNL111111111 0.1711 57 H 2.6101 3.3312 -2.4645 H 1 UNL111111111 0.1611 58 H 3.6972 3.0637 1.6906 H 1 UNL111111111 0.1530 59 H 1.3268 2.7769 2.2976 H 1 UNL111111111 0.1521 60 H 0.2200 3.1416 -1.8505 H 1 UNL111111111 0.1618 61 H 5.4271 3.2371 0.0488 H 1 UNL111111111 0.1537 62 H 5.0237 2.4247 -1.4676 H 1 UNL111111111 0.1716 63 H 4.9715 4.1936 -1.3674 H 1 UNL111111111 0.1611 @BOND 1 1 17 1 2 2 3 1 3 2 11 1 4 2 14 1 5 2 36 1 6 3 4 am 7 3 7 2 8 4 5 1 9 4 37 1 10 5 6 1 11 5 8 1 12 5 9 1 13 6 10 2 14 6 38 1 15 8 9 1 16 8 39 1 17 8 40 1 18 9 41 1 19 9 42 1 20 10 43 1 21 11 12 1 22 11 24 am 23 12 13 1 24 12 44 1 25 12 45 1 26 13 14 1 27 13 15 1 28 13 46 1 29 14 47 1 30 14 48 1 31 15 16 1 32 15 22 2 33 15 23 2 34 16 17 ar 35 16 21 ar 36 17 18 ar 37 18 19 ar 38 18 49 1 39 19 20 ar 40 19 50 1 41 20 21 ar 42 20 51 1 43 21 52 1 44 24 25 2 45 24 27 1 46 26 27 1 47 26 28 1 48 26 53 1 49 26 54 1 50 27 28 1 51 27 33 1 52 28 55 1 53 28 56 1 54 29 30 ar 55 29 34 ar 56 29 57 1 57 30 31 ar 58 30 35 1 59 31 32 ar 60 31 58 1 61 32 33 ar 62 32 59 1 63 33 34 ar 64 34 60 1 65 35 61 1 66 35 62 1 67 35 63 1