@MOLECULE (11z)-21,28-dihydroxy-7-methoxy-5-methyl-19,26-dioxo-3-oxa-16-azaheptacyclo[15.12.0.0~2,4~.0~2,8~.0~4,15~.0~18,27~.0~20,25~]nonacosa-1(29),6,11,17,20,22,24,27-octaene-9,13-diyne-6-carboxylic acid 41 48 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.5996 -0.7860 -1.3153 O.3 1 UNL1 -0.3206 2 O 4.5483 0.1245 2.1221 O.2 1 UNL1 -0.3969 3 O 4.5912 3.5285 0.1174 O.2 1 UNL1 -0.4110 4 O -1.9528 -3.0680 1.8206 O.2 1 UNL1 -0.2781 5 O 5.3483 2.2147 1.7559 O.3 1 UNL1 -0.5100 6 O -2.4128 2.3726 -0.3099 O.2 1 UNL1 -0.2751 7 O -3.9965 -1.3345 2.6787 O.2 1 UNL1 -0.3131 8 O -4.8757 2.6740 -1.6519 O.2 1 UNL1 -0.2539 9 N -0.4613 0.5691 -1.6935 N.3 1 UNL1 -0.2564 10 C 1.9737 0.4824 -1.2648 C.3 1 UNL1 0.2090 11 C 1.7393 -0.5299 -0.1426 C.3 1 UNL1 0.0742 12 C 2.8089 1.6027 -0.8582 C.2 1 UNL1 -0.5629 13 C 0.8018 0.2634 -2.2390 C.3 1 UNL1 0.1339 14 C 2.8154 -0.8897 0.8494 C.3 1 UNL1 0.0321 15 C 0.3411 -0.8880 0.1041 C.2 1 UNL1 -0.1277 16 C 3.6094 1.3807 0.3333 C.2 1 UNL1 -0.1642 17 C 3.6471 0.2223 1.1092 C.2 1 UNL1 0.2297 18 C -0.7015 0.0044 -0.5569 C.3 1 UNL1 0.1810 19 C 2.8525 2.7628 -1.5436 C.2 1 UNL1 0.6198 20 C -0.1888 -1.7853 0.8997 C.2 1 UNL1 -0.0031 21 C 0.9272 -1.0256 -2.8247 C.2 1 UNL1 -0.1176 22 C 2.9622 -2.2492 0.5725 C.2 1 UNL1 -0.0448 23 C -2.0004 0.0818 0.1282 C.2 1 UNL1 -0.0358 24 C 4.5195 2.4717 0.6842 C.2 1 UNL1 0.6012 25 C -1.5423 -2.0593 1.3186 C.2 1 UNL1 0.4206 26 C -2.4116 -0.8765 0.9793 C.2 1 UNL1 -0.1980 27 C -2.8704 1.2790 -0.1260 C.2 1 UNL1 0.4203 28 C 1.2563 -2.2075 -2.7489 C.1 1 UNL1 0.0216 29 C 2.7226 -3.1262 -0.2678 C.1 1 UNL1 -0.0154 30 C -3.7480 -0.8080 1.6300 C.2 1 UNL1 0.4624 31 C 5.3870 1.0958 2.4518 C.3 1 UNL1 0.5830 32 C -4.3187 1.0068 -0.0246 C.3 1 UNL1 -0.1520 33 C -4.7464 -0.0063 0.8789 C.2 1 UNL1 -0.2065 34 C 1.7209 -3.5123 -2.4843 C.2 1 UNL1 -0.1069 35 C 2.3843 -3.9301 -1.3654 C.2 1 UNL1 -0.0745 36 C -5.2402 1.8482 -0.8528 C.2 1 UNL1 0.3930 37 C -6.0917 -0.1811 1.0148 C.2 1 UNL1 0.1928 38 C -6.6143 1.4773 -0.5383 C.2 1 UNL1 -0.0210 39 C -6.9400 0.5791 0.2940 C.2 1 UNL1 -0.0895 40 H 1.5278 -4.2443 -3.2851 H 1 UNL1 0.1805 41 H 2.7029 -4.9834 -1.3045 H 1 UNL1 0.1800 @BOND 1 40 34 1 2 21 28 2 3 21 13 1 4 28 34 2 5 34 35 1 6 13 9 1 7 13 10 1 8 9 18 1 9 8 36 2 10 19 12 2 11 35 41 1 12 35 29 2 13 1 10 1 14 1 11 1 15 10 12 1 16 10 11 1 17 12 16 1 18 36 38 1 19 36 32 1 20 18 15 1 21 18 23 1 22 38 39 2 23 6 27 2 24 29 22 2 25 11 15 1 26 11 14 1 27 27 32 1 28 27 23 1 29 32 33 1 30 15 20 2 31 3 24 2 32 23 26 2 33 39 37 1 34 16 24 1 35 16 17 2 36 22 14 1 37 24 5 1 38 14 17 1 39 33 37 2 40 33 30 1 41 20 25 1 42 26 25 1 43 26 30 1 44 17 2 1 45 25 4 2 46 30 7 2 47 5 31 1 48 2 31 1