@MOLECULE (13r,16s)-12,12,16-trimethyl-10,19,22-triazahexacyclo[13.5.2.0~1,13~.0~3,11~.0~4,9~.0~15,19~]docosa-3(11),4,6,8-tetraen-21-one 53 58 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7876 1.0407 -2.2922 O.2 1 UNL1111111111 -0.5266 2 N 2.8809 1.0281 1.0964 N.3 1 UNL1111111111 -0.4844 3 N 2.5410 0.1577 -1.1600 N.am 1 UNL1111111111 -0.6679 4 N -2.9785 -1.5765 0.1357 N.ar 1 UNL1111111111 -0.3883 5 C 0.5961 0.7491 0.1399 C.3 1 UNL1111111111 -0.0558 6 C 3.0051 -0.1597 0.2064 C.3 1 UNL1111111111 0.3766 7 C 0.6076 -0.6692 0.7859 C.3 1 UNL1111111111 -0.1074 8 C 2.0497 -1.2315 0.7786 C.3 1 UNL1111111111 -0.3217 9 C 1.5528 1.6618 0.9807 C.3 1 UNL1111111111 -0.1148 10 C -0.4141 -1.6633 0.1528 C.3 1 UNL1111111111 0.0913 11 C 4.5251 -0.4719 0.2659 C.3 1 UNL1111111111 -0.1253 12 C -0.7905 1.4037 0.0685 C.3 1 UNL1111111111 -0.2578 13 C 1.2545 0.6702 -1.2395 C.2 1 UNL1111111111 0.5781 14 C 4.0603 1.8901 0.8506 C.3 1 UNL1111111111 -0.1011 15 C 5.1762 0.9304 0.3614 C.3 1 UNL1111111111 -0.2959 16 C -1.7267 -0.9513 0.1366 C.ar 1 UNL1111111111 0.0692 17 C -1.8906 0.4231 0.0918 C.ar 1 UNL1111111111 -0.1127 18 C -0.0783 -2.0628 -1.2892 C.3 1 UNL1111111111 -0.4630 19 C -0.4847 -2.9195 1.0387 C.3 1 UNL1111111111 -0.4608 20 C 5.0511 -1.3012 -0.8947 C.3 1 UNL1111111111 -0.4516 21 C -3.3002 0.6900 0.0610 C.ar 1 UNL1111111111 -0.0691 22 C -3.9579 -0.5843 0.0888 C.ar 1 UNL1111111111 0.1063 23 C -4.0713 1.8541 0.0098 C.ar 1 UNL1111111111 -0.1039 24 C -5.3537 -0.6980 0.0716 C.ar 1 UNL1111111111 -0.2194 25 C -5.4499 1.7374 -0.0081 C.ar 1 UNL1111111111 -0.2011 26 C -6.0822 0.4763 0.0237 C.ar 1 UNL1111111111 -0.1158 27 H 0.2939 -0.5265 1.8525 H 1 UNL1111111111 0.1573 28 H 2.3594 -1.4932 1.8063 H 1 UNL1111111111 0.1580 29 H 2.1311 -2.1548 0.1801 H 1 UNL1111111111 0.1560 30 H 1.5953 2.6763 0.5362 H 1 UNL1111111111 0.1355 31 H 1.1596 1.7680 2.0169 H 1 UNL1111111111 0.1572 32 H 4.7134 -1.0226 1.2203 H 1 UNL1111111111 0.1545 33 H -0.8639 2.0153 -0.8669 H 1 UNL1111111111 0.1874 34 H -0.9238 2.1265 0.9032 H 1 UNL1111111111 0.1540 35 H 3.1549 0.1135 -1.9485 H 1 UNL1111111111 0.3231 36 H 4.3272 2.3727 1.8124 H 1 UNL1111111111 0.1427 37 H 3.8754 2.6928 0.1110 H 1 UNL1111111111 0.1240 38 H 5.5716 1.2569 -0.6129 H 1 UNL1111111111 0.1443 39 H 6.0281 0.9200 1.0572 H 1 UNL1111111111 0.1438 40 H 0.9522 -2.4144 -1.3935 H 1 UNL1111111111 0.1503 41 H -0.7412 -2.8557 -1.6501 H 1 UNL1111111111 0.1471 42 H -0.2025 -1.2128 -1.9795 H 1 UNL1111111111 0.1799 43 H 0.5004 -3.3870 1.1457 H 1 UNL1111111111 0.1525 44 H -0.8466 -2.6785 2.0449 H 1 UNL1111111111 0.1511 45 H -1.1502 -3.6777 0.6158 H 1 UNL1111111111 0.1407 46 H 4.4305 -2.1908 -1.0635 H 1 UNL1111111111 0.1546 47 H 5.0877 -0.7407 -1.8361 H 1 UNL1111111111 0.1479 48 H 6.0733 -1.6488 -0.6959 H 1 UNL1111111111 0.1530 49 H -3.1383 -2.5539 0.1435 H 1 UNL1111111111 0.3114 50 H -3.5853 2.8259 -0.0193 H 1 UNL1111111111 0.1518 51 H -5.8365 -1.6673 0.0936 H 1 UNL1111111111 0.1533 52 H -6.0693 2.6298 -0.0497 H 1 UNL1111111111 0.1473 53 H -7.1692 0.4366 0.0073 H 1 UNL1111111111 0.1446 @BOND 1 1 13 2 2 2 6 1 3 2 9 1 4 2 14 1 5 3 6 1 6 3 13 am 7 3 35 1 8 4 16 ar 9 4 22 ar 10 4 49 1 11 5 7 1 12 5 9 1 13 5 12 1 14 5 13 1 15 6 8 1 16 6 11 1 17 7 8 1 18 7 10 1 19 7 27 1 20 8 28 1 21 8 29 1 22 9 30 1 23 9 31 1 24 10 16 1 25 10 18 1 26 10 19 1 27 11 15 1 28 11 20 1 29 11 32 1 30 12 17 1 31 12 33 1 32 12 34 1 33 14 15 1 34 14 36 1 35 14 37 1 36 15 38 1 37 15 39 1 38 16 17 ar 39 17 21 ar 40 18 40 1 41 18 41 1 42 18 42 1 43 19 43 1 44 19 44 1 45 19 45 1 46 20 46 1 47 20 47 1 48 20 48 1 49 21 22 ar 50 21 23 ar 51 22 24 ar 52 23 25 ar 53 23 50 1 54 24 26 ar 55 24 51 1 56 25 26 ar 57 25 52 1 58 26 53 1