@MOLECULE n-[(3r,4r)-4-({4-[2-hydroxy-5-(1-piperidinyl)benzoyl]benzoyl}amino)-3-azepanyl]isonicotinamide 75 79 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.8806 2.7630 -1.9534 O.2 1 UNL1111111111 -0.4336 2 C 2.4052 2.1679 -1.0140 C.2 1 UNL1111111111 0.4890 3 C 3.2854 1.6684 0.0706 C.ar 1 UNL1111111111 -0.2040 4 C 3.0956 2.0364 1.4089 C.ar 1 UNL1111111111 0.2677 5 C 3.9446 1.5887 2.4184 C.ar 1 UNL1111111111 -0.2686 6 C 5.0142 0.7622 2.0819 C.ar 1 UNL1111111111 -0.1598 7 C 5.2278 0.3839 0.7503 C.ar 1 UNL1111111111 0.1075 8 N 6.2481 -0.5171 0.3249 N.pl3 1 UNL1111111111 -0.4198 9 C 6.8226 -1.3702 1.3884 C.3 1 UNL1111111111 -0.0989 10 C 7.6781 -2.4707 0.7306 C.3 1 UNL1111111111 -0.2733 11 C 8.7925 -1.8462 -0.1165 C.3 1 UNL1111111111 -0.2632 12 C 8.1712 -0.9127 -1.1614 C.3 1 UNL1111111111 -0.2741 13 C 7.3069 0.1569 -0.4704 C.3 1 UNL1111111111 -0.0903 14 C 4.3531 0.8440 -0.2534 C.ar 1 UNL1111111111 -0.0904 15 O 2.0279 2.8420 1.6512 O.3 1 UNL1111111111 -0.4679 16 C 0.9479 1.8854 -0.9514 C.ar 1 UNL1111111111 -0.1125 17 C 0.1323 2.4338 -1.9445 C.ar 1 UNL1111111111 -0.0911 18 C -1.2359 2.1738 -1.9453 C.ar 1 UNL1111111111 -0.1231 19 C 0.3958 1.0847 0.0494 C.ar 1 UNL1111111111 -0.0836 20 C -0.9743 0.8425 0.0651 C.ar 1 UNL1111111111 -0.1688 21 C -1.7802 1.3797 -0.9385 C.ar 1 UNL1111111111 -0.1018 22 C -3.2267 1.0324 -1.0061 C.2 1 UNL1111111111 0.5766 23 O -3.7497 0.6302 -2.0318 O.2 1 UNL1111111111 -0.5589 24 N -3.9458 1.1605 0.1602 N.am 1 UNL1111111111 -0.5996 25 C -5.3408 0.6960 0.2353 C.3 1 UNL1111111111 0.0794 26 C -6.0196 1.4861 1.3743 C.3 1 UNL1111111111 -0.3030 27 C -7.5434 1.4644 1.2608 C.3 1 UNL1111111111 -0.2682 28 C -8.1134 0.0337 1.3185 C.3 1 UNL1111111111 -0.1037 29 N -7.8572 -0.6049 0.0109 N.3 1 UNL1111111111 -0.5537 30 C -6.6980 -1.5139 -0.0024 C.3 1 UNL1111111111 -0.1327 31 C -5.3952 -0.8495 0.5283 C.3 1 UNL1111111111 0.0452 32 N -4.2859 -1.5490 -0.1384 N.am 1 UNL1111111111 -0.5862 33 C -3.1397 -1.8342 0.5734 C.2 1 UNL1111111111 0.5663 34 O -3.1079 -1.7122 1.7856 O.2 1 UNL1111111111 -0.5389 35 C -1.9436 -2.3093 -0.1849 C.ar 1 UNL1111111111 -0.0706 36 C -1.0073 -3.0724 0.5130 C.ar 1 UNL1111111111 -0.1853 37 C 0.1704 -3.4466 -0.1460 C.ar 1 UNL1111111111 0.0389 38 N 0.4285 -3.0988 -1.4202 N.ar 1 UNL1111111111 -0.3473 39 C -0.4829 -2.3681 -2.0865 C.ar 1 UNL1111111111 0.0504 40 C -1.6898 -1.9518 -1.5070 C.ar 1 UNL1111111111 -0.2187 41 H 3.7825 1.8800 3.4512 H 1 UNL1111111111 0.1609 42 H 5.6861 0.4218 2.8670 H 1 UNL1111111111 0.1545 43 H 7.4388 -0.7968 2.1132 H 1 UNL1111111111 0.1142 44 H 5.9844 -1.8378 1.9514 H 1 UNL1111111111 0.1396 45 H 8.0983 -3.1320 1.5073 H 1 UNL1111111111 0.1318 46 H 7.0317 -3.1045 0.0914 H 1 UNL1111111111 0.1546 47 H 9.4985 -1.2895 0.5260 H 1 UNL1111111111 0.1337 48 H 9.3867 -2.6355 -0.6113 H 1 UNL1111111111 0.1338 49 H 8.9538 -0.4277 -1.7700 H 1 UNL1111111111 0.1343 50 H 7.5433 -1.4976 -1.8627 H 1 UNL1111111111 0.1544 51 H 6.8241 0.8040 -1.2354 H 1 UNL1111111111 0.1447 52 H 7.9416 0.8151 0.1608 H 1 UNL1111111111 0.1180 53 H 4.5141 0.5375 -1.2911 H 1 UNL1111111111 0.1816 54 H 1.9751 3.1149 2.5992 H 1 UNL1111111111 0.3294 55 H 0.5767 3.0579 -2.7246 H 1 UNL1111111111 0.1749 56 H -1.8780 2.5740 -2.7315 H 1 UNL1111111111 0.1708 57 H 1.0294 0.6419 0.8203 H 1 UNL1111111111 0.1686 58 H -1.4003 0.2169 0.8513 H 1 UNL1111111111 0.1665 59 H -3.4887 1.3981 1.0285 H 1 UNL1111111111 0.3180 60 H -5.8477 0.8980 -0.7478 H 1 UNL1111111111 0.1895 61 H -5.7011 1.0955 2.3592 H 1 UNL1111111111 0.1431 62 H -5.6761 2.5419 1.3421 H 1 UNL1111111111 0.1513 63 H -7.9884 2.0741 2.0684 H 1 UNL1111111111 0.1329 64 H -7.8567 1.9382 0.3067 H 1 UNL1111111111 0.1604 65 H -7.6742 -0.5254 2.1698 H 1 UNL1111111111 0.1255 66 H -9.2077 0.0816 1.5040 H 1 UNL1111111111 0.1242 67 H -8.6852 -1.0827 -0.3378 H 1 UNL1111111111 0.2608 68 H -6.8714 -2.4485 0.5754 H 1 UNL1111111111 0.1230 69 H -6.5557 -1.8194 -1.0682 H 1 UNL1111111111 0.1546 70 H -5.3140 -1.0125 1.6359 H 1 UNL1111111111 0.1684 71 H -4.2721 -1.4777 -1.1529 H 1 UNL1111111111 0.3307 72 H -1.1859 -3.3516 1.5522 H 1 UNL1111111111 0.1855 73 H 0.9462 -4.0379 0.3534 H 1 UNL1111111111 0.1718 74 H -0.2236 -2.1036 -3.1189 H 1 UNL1111111111 0.1771 75 H -2.3823 -1.3423 -2.0900 H 1 UNL1111111111 0.1874 @BOND 1 1 2 2 2 2 3 1 3 2 16 1 4 3 4 ar 5 3 14 ar 6 4 5 ar 7 4 15 1 8 5 6 ar 9 5 41 1 10 6 7 ar 11 6 42 1 12 7 8 1 13 7 14 ar 14 8 9 1 15 8 13 1 16 9 10 1 17 9 43 1 18 9 44 1 19 10 11 1 20 10 45 1 21 10 46 1 22 11 12 1 23 11 47 1 24 11 48 1 25 12 13 1 26 12 49 1 27 12 50 1 28 13 51 1 29 13 52 1 30 14 53 1 31 15 54 1 32 16 17 ar 33 16 19 ar 34 17 18 ar 35 17 55 1 36 18 21 ar 37 18 56 1 38 19 20 ar 39 19 57 1 40 20 21 ar 41 20 58 1 42 21 22 1 43 22 23 2 44 22 24 am 45 24 25 1 46 24 59 1 47 25 26 1 48 25 31 1 49 25 60 1 50 26 27 1 51 26 61 1 52 26 62 1 53 27 28 1 54 27 63 1 55 27 64 1 56 28 29 1 57 28 65 1 58 28 66 1 59 29 30 1 60 29 67 1 61 30 31 1 62 30 68 1 63 30 69 1 64 31 32 1 65 31 70 1 66 32 33 am 67 32 71 1 68 33 34 2 69 33 35 1 70 35 36 ar 71 35 40 ar 72 36 37 ar 73 36 72 1 74 37 38 ar 75 37 73 1 76 38 39 ar 77 39 40 ar 78 39 74 1 79 40 75 1