@MOLECULE methyl (1r,9r,12r,21r)-15,20-dioxo-19-oxa-8,16-diazahexacyclo[10.6.4.0~1,9~.0~2,7~.0~9,21~.0~12,16~]docosa-2,4,6,13-tetraene-8-carboxylate 48 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1305 1.3202 1.4777 O.3 1 UNL1111111111 -0.3912 2 O 0.5990 0.1214 3.2021 O.2 1 UNL1111111111 -0.4219 3 O -1.5709 -2.8575 -0.0015 O.3 1 UNL1111111111 -0.4151 4 O 4.9736 1.6278 -0.1644 O.2 1 UNL1111111111 -0.5017 5 O -3.6985 -2.0657 -0.1624 O.2 1 UNL1111111111 -0.5150 6 N -1.8925 -0.6286 -0.1385 N.am 1 UNL1111111111 -0.5205 7 N 2.9307 0.5758 -0.2712 N.am 1 UNL1111111111 -0.5617 8 C -0.4127 -0.3946 -0.1942 C.3 1 UNL1111111111 0.2148 9 C -0.3150 1.1832 0.0591 C.3 1 UNL1111111111 0.2403 10 C 0.3050 -0.9801 1.0295 C.3 1 UNL1111111111 -0.2531 11 C 2.4226 -0.8018 -0.4757 C.3 1 UNL1111111111 0.2552 12 C 0.0735 -0.9103 -1.5466 C.3 1 UNL1111111111 -0.3054 13 C 1.7395 -1.4271 0.7534 C.3 1 UNL1111111111 -0.2912 14 C 1.5849 -0.8922 -1.7623 C.3 1 UNL1111111111 -0.2946 15 C 0.8244 1.9252 -0.6186 C.3 1 UNL1111111111 -0.3274 16 C -1.7006 1.6826 -0.2110 C.ar 1 UNL1111111111 -0.1632 17 C 0.2952 0.1473 2.0459 C.2 1 UNL1111111111 0.5807 18 C 2.1671 1.7570 0.1112 C.3 1 UNL1111111111 -0.0354 19 C -2.5976 0.5916 -0.2758 C.ar 1 UNL1111111111 0.2274 20 C 3.7384 -1.5814 -0.7013 C.2 1 UNL1111111111 -0.1595 21 C 4.3273 0.6212 -0.3212 C.2 1 UNL1111111111 0.5739 22 C -2.1700 2.9775 -0.3100 C.ar 1 UNL1111111111 -0.0618 23 C -2.5093 -1.8648 -0.1126 C.2 1 UNL1111111111 0.7221 24 C 4.7964 -0.7684 -0.6133 C.2 1 UNL1111111111 -0.2383 25 C -3.9615 0.7834 -0.4504 C.ar 1 UNL1111111111 -0.2219 26 C -3.5421 3.1805 -0.4969 C.ar 1 UNL1111111111 -0.2046 27 C -4.4187 2.0993 -0.5624 C.ar 1 UNL1111111111 -0.0771 28 C -2.1283 -4.1657 0.1250 C.3 1 UNL1111111111 -0.1583 29 H -0.2647 -1.8455 1.4591 H 1 UNL1111111111 0.2039 30 H -0.4269 -0.3373 -2.3566 H 1 UNL1111111111 0.1602 31 H -0.2882 -1.9579 -1.6725 H 1 UNL1111111111 0.1707 32 H 2.3676 -1.2440 1.6555 H 1 UNL1111111111 0.1795 33 H 1.7409 -2.5315 0.6194 H 1 UNL1111111111 0.1616 34 H 1.8713 -1.8054 -2.3256 H 1 UNL1111111111 0.1509 35 H 1.8681 -0.0557 -2.4369 H 1 UNL1111111111 0.1656 36 H 0.9094 1.6297 -1.6813 H 1 UNL1111111111 0.1701 37 H 0.5819 3.0114 -0.6392 H 1 UNL1111111111 0.1682 38 H 2.8104 2.6520 -0.1105 H 1 UNL1111111111 0.1696 39 H 2.0261 1.7692 1.2203 H 1 UNL1111111111 0.1616 40 H 3.7083 -2.6351 -0.8989 H 1 UNL1111111111 0.1616 41 H -1.4923 3.8266 -0.2322 H 1 UNL1111111111 0.1582 42 H 5.8447 -0.9775 -0.7157 H 1 UNL1111111111 0.1828 43 H -4.6561 -0.0561 -0.4918 H 1 UNL1111111111 0.1948 44 H -3.9268 4.1942 -0.5816 H 1 UNL1111111111 0.1551 45 H -5.4861 2.2776 -0.6989 H 1 UNL1111111111 0.1532 46 H -1.2350 -4.7957 0.2082 H 1 UNL1111111111 0.1459 47 H -2.7156 -4.4158 -0.7648 H 1 UNL1111111111 0.1427 48 H -2.7519 -4.2293 1.0241 H 1 UNL1111111111 0.1481 @BOND 1 1 9 1 2 1 17 1 3 2 17 2 4 3 23 1 5 3 28 1 6 4 21 2 7 5 23 2 8 6 8 1 9 6 19 1 10 6 23 am 11 7 11 1 12 7 18 1 13 7 21 am 14 8 9 1 15 8 10 1 16 8 12 1 17 9 15 1 18 9 16 1 19 10 13 1 20 10 17 1 21 10 29 1 22 11 13 1 23 11 14 1 24 11 20 1 25 12 14 1 26 12 30 1 27 12 31 1 28 13 32 1 29 13 33 1 30 14 34 1 31 14 35 1 32 15 18 1 33 15 36 1 34 15 37 1 35 16 19 ar 36 16 22 ar 37 18 38 1 38 18 39 1 39 19 25 ar 40 20 24 2 41 20 40 1 42 21 24 1 43 22 26 ar 44 22 41 1 45 24 42 1 46 25 27 ar 47 25 43 1 48 26 27 ar 49 26 44 1 50 27 45 1 51 28 46 1 52 28 47 1 53 28 48 1