@MOLECULE n-[(2r)-1-(4-{3-[4-(cyclopropylcarbonyl)phenoxy]propyl}-1-piperazinyl)-1-oxo-2-propanyl]-2-furamide 62 65 0 0 0 SMALL USER_CHARGES @ATOM 1 O -10.0590 -1.0360 0.8912 O.2 1 UNL111111 -0.4578 2 O -4.0235 0.2949 -0.3354 O.3 1 UNL111111 -0.3379 3 O 4.9776 -1.9235 0.0190 O.2 1 UNL111111 -0.5352 4 O 7.1474 2.3436 -0.1278 O.2 1 UNL111111 -0.5159 5 O 9.3008 -0.4628 0.5053 O.2 1 UNL111111 -0.2601 6 N 0.5677 -0.9735 -0.5326 N.3 1 UNL111111 -0.4198 7 N 3.3885 -0.7343 -1.0578 N.am 1 UNL111111 -0.4697 8 N 6.6329 0.1757 0.2909 N.am 1 UNL111111 -0.5612 9 C -10.3736 1.1938 0.1891 C.3 1 UNL111111 -0.2852 10 C -11.8785 1.0920 0.3470 C.3 1 UNL111111 -0.2756 11 C -11.2770 1.1579 -1.0295 C.3 1 UNL111111 -0.2863 12 C -9.5503 -0.0169 0.4831 C.2 1 UNL111111 0.4899 13 C 1.4496 -2.1628 -0.4268 C.3 1 UNL111111 -0.1524 14 C 1.3013 0.2499 -0.1299 C.3 1 UNL111111 -0.1500 15 C 2.6567 -1.9727 -1.3770 C.3 1 UNL111111 -0.0809 16 C 2.5077 0.4383 -1.0855 C.3 1 UNL111111 -0.0844 17 C -0.6667 -1.1521 0.2701 C.3 1 UNL111111 -0.1133 18 C -8.0900 0.0733 0.2761 C.ar 1 UNL111111 -0.2435 19 C -1.7655 -0.2493 -0.3192 C.3 1 UNL111111 -0.3036 20 C 4.4990 -0.8352 -0.2394 C.2 1 UNL111111 0.5357 21 C 5.1942 0.4509 0.2427 C.3 1 UNL111111 0.0388 22 C -3.1202 -0.6382 0.2703 C.3 1 UNL111111 -0.0457 23 C -7.5216 1.0143 -0.5910 C.ar 1 UNL111111 -0.0336 24 C -7.2736 -0.8336 0.9556 C.ar 1 UNL111111 0.0008 25 C -5.3426 0.1425 -0.0737 C.ar 1 UNL111111 0.2979 26 C -6.1496 1.0585 -0.7738 C.ar 1 UNL111111 -0.2780 27 C -5.8915 -0.8041 0.7940 C.ar 1 UNL111111 -0.3331 28 C 4.6623 0.7911 1.6387 C.3 1 UNL111111 -0.4674 29 C 7.5181 1.2015 0.0838 C.2 1 UNL111111 0.5797 30 C 8.9414 0.8558 0.0998 C.ar 1 UNL111111 -0.0300 31 C 10.0721 1.6025 -0.1541 C.ar 1 UNL111111 -0.2354 32 C 11.0380 0.7326 0.3478 C.ar 1 UNL111111 0.0242 33 C 10.6319 -0.6446 0.4720 C.ar 1 UNL111111 0.2109 34 H -9.8815 2.1331 0.4602 H 1 UNL111111 0.1736 35 H -12.4335 1.9352 0.7461 H 1 UNL111111 0.1538 36 H -12.3045 0.1527 0.7047 H 1 UNL111111 0.1769 37 H -11.2868 0.2717 -1.6619 H 1 UNL111111 0.1647 38 H -11.3908 2.0530 -1.6342 H 1 UNL111111 0.1557 39 H 0.8742 -3.0578 -0.7481 H 1 UNL111111 0.1477 40 H 1.8061 -2.3514 0.6075 H 1 UNL111111 0.1287 41 H 1.6444 0.2214 0.9253 H 1 UNL111111 0.1207 42 H 0.6163 1.1200 -0.2310 H 1 UNL111111 0.1498 43 H 2.3051 -1.9024 -2.4322 H 1 UNL111111 0.1578 44 H 3.3403 -2.8509 -1.3110 H 1 UNL111111 0.1716 45 H 3.0579 1.3679 -0.8364 H 1 UNL111111 0.1454 46 H 2.1326 0.5572 -2.1328 H 1 UNL111111 0.1675 47 H -0.5195 -0.9338 1.3488 H 1 UNL111111 0.1190 48 H -0.9895 -2.2154 0.2001 H 1 UNL111111 0.1415 49 H -1.5549 0.8192 -0.1277 H 1 UNL111111 0.1550 50 H -1.7813 -0.3466 -1.4257 H 1 UNL111111 0.1769 51 H 5.0151 1.3098 -0.4662 H 1 UNL111111 0.1839 52 H -3.1557 -0.5087 1.3657 H 1 UNL111111 0.1300 53 H -3.4148 -1.6659 -0.0075 H 1 UNL111111 0.1336 54 H -8.1624 1.7122 -1.1367 H 1 UNL111111 0.1567 55 H -7.7319 -1.5754 1.6186 H 1 UNL111111 0.1705 56 H -5.6876 1.7780 -1.4444 H 1 UNL111111 0.1750 57 H -5.2722 -1.5083 1.3352 H 1 UNL111111 0.1658 58 H 4.8371 -0.0282 2.3495 H 1 UNL111111 0.1670 59 H 5.1760 1.6801 2.0364 H 1 UNL111111 0.1771 60 H 3.5911 1.0094 1.6292 H 1 UNL111111 0.1470 61 H 6.9198 -0.7814 0.4785 H 1 UNL111111 0.3499 62 H 10.1374 2.6208 -0.4881 H 1 UNL111111 0.2149 @BOND 1 43 15 1 2 46 16 1 3 37 11 1 4 38 11 1 5 56 26 1 6 50 19 1 7 15 44 1 8 15 7 1 9 15 13 1 10 54 23 1 11 16 7 1 12 16 45 1 13 16 14 1 14 7 20 am 15 11 9 1 16 11 10 1 17 26 23 ar 18 26 25 ar 19 39 13 1 20 23 18 ar 21 6 13 1 22 6 14 1 23 6 17 1 24 51 21 1 25 13 40 1 26 62 31 1 27 2 25 1 28 2 22 1 29 19 49 1 30 19 17 1 31 19 22 1 32 20 3 2 33 20 21 1 34 42 14 1 35 14 41 1 36 4 29 2 37 31 30 ar 38 31 32 ar 39 25 27 ar 40 53 22 1 41 29 30 1 42 29 8 am 43 30 5 ar 44 9 10 1 45 9 34 1 46 9 12 1 47 48 17 1 48 32 33 ar 49 21 8 1 50 21 28 1 51 17 47 1 52 22 52 1 53 18 12 1 54 18 24 ar 55 8 61 1 56 10 36 1 57 10 35 1 58 12 1 2 59 33 5 ar 60 27 24 ar 61 27 57 1 62 24 55 1 63 60 28 1 64 28 59 1 65 28 58 1