@MOLECULE (10S,11R,12S,13R,14R,15S)-17-ethoxy-18,19-diazapentacyclo[BLAH.BLAH.BLAH.BLAH.BLAH.BLAH]heptadeca-2(4),3(5),8,17(19)-tetraen-16-one 39 43 0 0 0 SMALL USER_CHARGES @ATOM 1 C1 0.0220 1.9088 1.1806 C.3 1 KINW111111111 -0.0868 2 C2 0.4176 0.6226 1.9206 C.3 1 KINW111111111 -0.1419 3 C3 0.0666 -0.7485 1.4047 C.ar 1 KINW111111111 -0.0466 4 C4 -0.9194 -1.6938 1.3685 C.ar 1 KINW111111111 -0.1529 5 C5 -0.5783 -2.9241 0.7636 C.ar 1 KINW111111111 -0.1387 6 C6 0.6910 -3.1634 0.2550 C.ar 1 KINW111111111 -0.1535 7 C7 1.7137 -2.1910 0.3172 C.ar 1 KINW111111111 -0.1354 8 C8 1.3744 -0.9981 0.8908 C.ar 1 KINW111111111 -0.0598 9 C9 1.9206 0.3310 1.3451 C.3 1 KINW111111111 -0.1320 10 C10 2.1452 1.5043 0.3801 C.3 1 KINW111111111 -0.0768 11 C11 1.2541 1.4350 -0.8913 C.3 1 KINW111111111 -0.2113 12 C12 1.4224 0.1670 -1.6856 C.2 1 KINW111111111 0.5418 13 O1 2.5005 -0.2487 -2.0570 O.2 1 KINW111111111 -0.5064 14 N1 0.2736 -0.4799 -2.1543 N.am 1 KINW111111111 -0.4050 15 N2 -0.9753 -0.3030 -1.6171 N.2 1 KINW111111111 -0.3137 16 C13 -1.1589 0.6763 -0.7751 C.2 1 KINW111111111 0.2929 17 C14 -0.1834 1.7223 -0.3495 C.3 1 KINW111111111 -0.1607 18 C15 1.4073 2.6417 1.1636 C.3 1 KINW111111111 -0.2900 19 O2 -2.3756 0.8952 -0.2363 O.2 1 KINW111111111 -0.3223 20 C16 -3.4184 -0.0367 -0.5903 C.3 1 KINW111111111 -0.0128 21 C17 -4.5997 0.4543 0.2303 C.3 1 KINW111111111 -0.4605 22 H1 -0.8076 2.4475 1.6530 H 1 KINW111111111 0.1491 23 H2 0.3374 0.7263 3.0077 H 1 KINW111111111 0.1522 24 H3 -1.9110 -1.5242 1.7724 H 1 KINW111111111 0.1562 25 H4 -1.3391 -3.7003 0.6989 H 1 KINW111111111 0.1498 26 H5 0.9156 -4.1258 -0.2024 H 1 KINW111111111 0.1527 27 H6 2.7047 -2.3892 -0.0823 H 1 KINW111111111 0.1704 28 H7 2.7107 0.2534 2.0995 H 1 KINW111111111 0.1540 29 H8 3.2024 1.6822 0.1449 H 1 KINW111111111 0.1569 30 H9 1.5565 2.2682 -1.5790 H 1 KINW111111111 0.1771 31 H10 0.3479 -1.3795 -2.6326 H 1 KINW111111111 0.3402 32 H11 -0.5469 2.6988 -0.7668 H 1 KINW111111111 0.1707 33 H12 1.8178 2.8208 2.1630 H 1 KINW111111111 0.1483 34 H13 1.3941 3.6029 0.6419 H 1 KINW111111111 0.1428 35 H14 -3.5886 0.0208 -1.6797 H 1 KINW111111111 0.1410 36 H15 -3.0958 -1.0585 -0.3218 H 1 KINW111111111 0.1407 37 H16 -5.4912 -0.1524 0.0374 H 1 KINW111111111 0.1538 38 H17 -4.8432 1.4984 -0.0072 H 1 KINW111111111 0.1578 39 H18 -4.3850 0.4121 1.3062 H 1 KINW111111111 0.1587 @BOND 1 1 22 1 2 1 18 1 3 1 17 1 4 1 2 1 5 2 23 1 6 2 9 1 7 2 3 1 8 3 8 ar 9 3 4 ar 10 4 24 1 11 4 5 ar 12 5 25 1 13 5 6 ar 14 6 26 1 15 6 7 ar 16 7 27 1 17 7 8 ar 18 8 9 1 19 9 28 1 20 9 10 1 21 10 29 1 22 10 18 1 23 10 11 1 24 11 30 1 25 11 17 1 26 11 12 1 27 12 14 am 28 12 13 2 29 14 31 1 30 14 15 1 31 15 16 2 32 16 19 1 33 16 17 1 34 17 32 1 35 18 34 1 36 18 33 1 37 19 20 1 38 20 36 1 39 20 35 1 40 20 21 1 41 21 39 1 42 21 38 1 43 21 37 1