@MOLECULE (15s,16s,18r)-4-amino-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1~15,18~.0~2,6~.0~7,27~.0~8,13~.0~19,26~.0~20,25~]octacosa-1,6,8,10,12,20,22,24,26-nonaene-3,5-dione 55 62 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -1.6932 -0.6518 0.5500 N.ar 1 UNL1 -0.3698 2 C -2.7061 0.3785 0.7458 C.3 1 UNL1 0.4304 3 C -3.2103 0.9651 -0.6374 C.3 1 UNL1 0.2203 4 C -1.5725 2.4267 0.4582 C.3 1 UNL1 0.3110 5 N -0.1573 2.1419 0.3148 N.ar 1 UNL1 -0.3899 6 C 3.3527 2.9401 0.0261 C.ar 1 UNL1 -0.0504 7 C 3.3580 4.3299 0.0837 C.ar 1 UNL1 -0.2193 8 C 2.1672 5.0563 0.2260 C.ar 1 UNL1 -0.0756 9 C 0.9319 4.4245 0.3149 C.ar 1 UNL1 -0.2590 10 C -0.5097 -4.0382 0.0520 C.ar 1 UNL1 -0.0503 11 C -1.6741 -4.7948 0.1115 C.ar 1 UNL1 -0.2202 12 C -2.9215 -4.1819 0.2892 C.ar 1 UNL1 -0.0794 13 C -3.0461 -2.8049 0.4308 C.ar 1 UNL1 -0.2515 14 C -4.7149 1.2864 -0.6482 C.3 1 UNL1 -0.0614 15 C -3.7815 -0.0532 1.7361 C.3 1 UNL1 -0.4878 16 H -5.8648 2.0438 -2.0777 H 1 UNL1 0.3226 17 H -3.3142 0.2546 -2.4679 H 1 UNL1 0.3412 18 H 5.9607 -2.0817 -0.5962 H 1 UNL1 0.2586 19 H 5.2448 -3.5617 -0.3837 H 1 UNL1 0.2566 20 O 4.8358 0.1584 -0.3057 O.2 1 UNL1 -0.4475 21 O 2.6022 -3.8402 -0.2747 O.2 1 UNL1 -0.4338 22 O -4.9108 1.9399 -1.8932 O.3 1 UNL1 -0.5537 23 O -2.9453 -0.0202 -1.5934 O.3 1 UNL1 -0.5259 24 C 3.8987 -0.5815 -0.2005 C.ar 1 UNL1 0.6043 25 C 2.7430 -2.6547 -0.1887 C.ar 1 UNL1 0.6079 26 C 2.4453 -0.3192 -0.0313 C.ar 1 UNL1 -0.1275 27 C 1.7553 -1.5516 -0.0201 C.ar 1 UNL1 -0.1170 28 N 5.1201 -2.6324 -0.7963 N.pl3 1 UNL1 -0.4008 29 C -2.3451 2.2173 -0.8601 C.3 1 UNL1 -0.4038 30 N 4.0373 -2.0154 -0.1216 N.ar 1 UNL1 -0.4653 31 C 1.7710 0.8773 0.1001 C.ar 1 UNL1 0.0128 32 C 0.3862 -1.6078 0.1438 C.ar 1 UNL1 0.0077 33 C 2.1364 2.2745 0.1173 C.ar 1 UNL1 -0.1025 34 C 0.9245 3.0312 0.2635 C.ar 1 UNL1 0.1910 35 C -0.6008 -2.6581 0.1881 C.ar 1 UNL1 -0.1062 36 C -1.8796 -2.0392 0.3992 C.ar 1 UNL1 0.2084 37 O -2.0822 1.4851 1.3863 O.3 1 UNL1 -0.4148 38 C 0.3392 0.8370 0.2533 C.ar 1 UNL1 0.1031 39 C -0.3411 -0.3741 0.3190 C.ar 1 UNL1 0.1206 40 H -1.7281 3.4207 0.9415 H 1 UNL1 0.1605 41 H -1.6605 2.0617 -1.7191 H 1 UNL1 0.1963 42 H -2.9491 3.1020 -1.1256 H 1 UNL1 0.1837 43 H 4.2825 2.3748 -0.0879 H 1 UNL1 0.1854 44 H 4.3020 4.8663 0.0169 H 1 UNL1 0.1553 45 H 2.2132 6.1445 0.2674 H 1 UNL1 0.1452 46 H 0.0179 4.9944 0.4224 H 1 UNL1 0.1560 47 H 0.4640 -4.5116 -0.1041 H 1 UNL1 0.1862 48 H -1.6207 -5.8761 0.0093 H 1 UNL1 0.1548 49 H -3.8178 -4.8015 0.3107 H 1 UNL1 0.1429 50 H -4.0230 -2.3513 0.5365 H 1 UNL1 0.1543 51 H -3.3421 -0.6318 2.5667 H 1 UNL1 0.1887 52 H -4.2603 0.8232 2.1972 H 1 UNL1 0.1764 53 H -4.5575 -0.6728 1.2754 H 1 UNL1 0.1652 54 H -5.3244 0.3660 -0.6165 H 1 UNL1 0.1330 55 H -5.0052 1.9706 0.1672 H 1 UNL1 0.1333 @BOND 1 17 23 1 2 16 22 1 3 22 14 1 4 41 29 1 5 23 3 1 6 42 29 1 7 29 3 1 8 29 4 1 9 28 18 1 10 28 19 1 11 28 30 1 12 14 3 1 13 14 54 1 14 14 55 1 15 3 2 1 16 20 24 2 17 21 25 2 18 24 30 ar 19 24 26 ar 20 25 30 ar 21 25 27 ar 22 47 10 1 23 43 6 1 24 26 27 ar 25 26 31 ar 26 27 32 ar 27 48 11 1 28 44 7 1 29 6 7 ar 30 6 33 ar 31 10 11 ar 32 10 35 ar 33 7 8 ar 34 31 33 ar 35 31 38 ar 36 11 12 ar 37 33 34 ar 38 32 35 ar 39 32 39 ar 40 35 36 ar 41 8 45 1 42 8 9 ar 43 38 5 ar 44 38 39 ar 45 34 5 ar 46 34 9 ar 47 12 49 1 48 12 13 ar 49 5 4 1 50 9 46 1 51 39 1 ar 52 36 13 ar 53 36 1 ar 54 13 50 1 55 4 40 1 56 4 37 1 57 1 2 1 58 2 37 1 59 2 15 1 60 53 15 1 61 15 52 1 62 15 51 1