@MOLECULE acetic acid; (2S,3R,34'S)-18',19'-dimethanidyl-16',17'-dimethyl-4-methylene-3,25'-divinyl-spiro[3H-pyrrole-2,28'-BLAHe]-5-ol; hydron 38 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 FE 0.8412 0.0276 -0.0525 Fe 1 UNL1 1.1247 2 N 1.3141 1.6179 -0.1588 N.pl3 1 UNL1 -0.8436 3 N 2.7792 -0.3769 0.6541 N.2 1 UNL1 -0.5353 4 N 0.2626 -1.6981 0.3284 N.3 1 UNL1 -0.6649 5 N -1.0828 0.5066 -0.6287 N.ar 1 UNL1 -0.4135 6 C 0.2618 3.2063 -2.1700 C.1 1 UNL1 0.1443 7 C -0.7015 2.5402 -1.8210 C.1 1 UNL1 -0.1925 8 C -1.5402 1.6348 -1.1687 C.ar 1 UNL1 0.4132 9 C 3.5424 0.6864 1.2754 C.3 1 UNL1 0.2795 10 C 3.4429 1.7802 0.5208 C.3 1 UNL1 -0.2491 11 C 2.5570 2.2683 -0.3430 C.2 1 UNL1 0.3366 12 C 1.2678 -1.9224 -0.6970 C.3 1 UNL1 0.0841 13 O 2.4792 -2.5012 -0.1809 O.2 1 UNL1 -0.2191 14 C 3.2021 -1.6338 0.5027 C.2 1 UNL1 0.5157 15 C -2.2513 -0.2067 -0.0451 C.ar 1 UNL1 0.1211 16 C -2.0374 -1.4957 0.0674 C.2 1 UNL1 -0.1231 17 C -0.9544 -2.2362 -0.1577 C.3 1 UNL1 0.2321 18 C 2.5621 3.2501 -1.3707 C.2 1 UNL1 -0.1467 19 C 1.5472 3.6841 -2.1959 C.3 1 UNL1 -0.2043 20 C 4.2818 0.6119 2.5354 C.2 1 UNL1 -0.6808 21 C 4.2118 1.5753 3.4767 C.2 1 UNL1 0.6764 22 C 4.3823 -1.9764 1.1951 C.2 1 UNL1 -0.1588 23 C 5.0913 -1.4406 2.0442 C.2 1 UNL1 -0.0229 24 C 5.2274 -0.3954 2.9785 C.3 1 UNL1 0.1941 25 C 0.7109 -2.8725 -1.6850 C.2 1 UNL1 -0.6287 26 C 1.3797 -3.3120 -2.7475 C.3 1 UNL1 0.5861 27 C -0.6407 -3.2202 -1.2489 C.2 1 UNL1 0.4123 28 C -1.4572 -4.1388 -1.7134 C.1 1 UNL1 -0.7439 29 C -2.2842 -5.0323 -2.1078 C.1 1 UNL1 0.3778 30 C -3.3839 0.7257 -0.0304 C.ar 1 UNL1 0.1832 31 C -4.5205 0.5753 0.5996 C.1 1 UNL1 -0.1453 32 C -2.9671 1.8476 -0.8952 C.ar 1 UNL1 -0.6113 33 C -3.7495 2.8420 -1.3121 C.3 1 UNL1 0.5863 34 C -5.6208 0.4095 1.2367 C.2 1 UNL1 0.0631 35 C -6.6392 0.4412 2.2296 C.2 1 UNL1 0.5464 36 O -6.9005 -0.1631 1.0006 O.3 1 UNL1 -0.3101 37 O -7.2149 0.6584 3.2307 O.2 1 UNL1 -0.3058 38 C 2.8514 4.2902 -2.3314 C.3 1 UNL1 0.3223 @BOND 1 26 25 1 2 38 19 1 3 38 18 1 4 19 6 1 5 19 18 1 6 6 7 3 7 29 28 3 8 7 8 1 9 28 27 1 10 25 27 2 11 25 12 1 12 18 11 2 13 33 32 1 14 27 17 1 15 8 32 ar 16 8 5 ar 17 32 30 ar 18 12 13 1 19 12 4 1 20 5 1 1 21 5 15 ar 22 11 2 1 23 11 10 1 24 13 14 1 25 2 1 1 26 17 16 1 27 17 4 1 28 1 4 1 29 15 30 ar 30 15 16 2 31 30 31 2 32 14 3 2 33 14 22 1 34 10 9 1 35 31 34 2 36 3 9 1 37 36 34 1 38 36 35 1 39 22 23 2 40 34 35 1 41 9 20 1 42 23 24 1 43 35 37 2 44 20 24 1 45 20 21 2