@MOLECULE (6ar,10ar)-3-(5-azidopentyl)-2-iodo-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6h-benzo[c]chromen-1-ol 27 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 I -0.3170 -2.6767 -0.0695 I 1 UNL1 0.1373 2 O 1.6573 3.1488 0.0073 O.2 1 UNL1 -0.1641 3 O 2.5223 -1.3349 -1.2874 O.2 1 UNL1 -0.3106 4 N -8.0045 0.4030 1.0868 N.1 1 UNL1 -0.2040 5 N -9.8006 2.6798 -0.5728 N.1 1 UNL1 -0.0060 6 N -10.7761 2.5107 -0.0503 N.1 1 UNL1 0.0060 7 C 4.5251 2.0325 0.1765 C.ar 1 UNL1 0.2164 8 C 3.7285 0.8367 0.1286 C.ar 1 UNL1 -0.0031 9 C 4.0833 3.3763 -0.0763 C.2 1 UNL1 -0.7768 10 C 5.8277 1.7465 0.5492 C.ar 1 UNL1 -0.2523 11 C 4.3294 -0.3652 0.5006 C.ar 1 UNL1 -0.2725 12 C 2.3468 0.8116 -0.2936 C.2 1 UNL1 -0.1916 13 C 5.6975 -0.5675 0.8998 C.ar 1 UNL1 -0.2527 14 C 1.4630 1.8281 -0.3543 C.2 1 UNL1 -0.0423 15 C 2.7135 3.8189 0.1045 C.2 1 UNL1 0.3318 16 C 4.9657 4.3454 -0.3588 C.3 1 UNL1 0.6376 17 C 6.3216 0.6266 0.8612 C.ar 1 UNL1 0.1478 18 C 1.8273 -0.5334 -0.7263 C.2 1 UNL1 0.4182 19 C 0.1450 1.6088 -0.9310 C.3 1 UNL1 0.2821 20 C 4.7997 -1.6980 0.8628 C.3 1 UNL1 0.4253 21 C -0.4494 0.3492 -0.4888 C.2 1 UNL1 -0.1464 22 C 0.3648 -0.7342 -0.4619 C.2 1 UNL1 -0.1330 23 C -1.8217 0.3570 -0.2256 C.1 1 UNL1 0.0349 24 C -3.0150 0.3637 0.0217 C.1 1 UNL1 -0.0531 25 C -4.3403 0.3711 0.3024 C.1 1 UNL1 0.0867 26 C -5.5310 0.3774 0.5610 C.1 1 UNL1 -0.0826 27 C -6.8697 0.3900 0.8468 C.1 1 UNL1 0.1669 @BOND 1 3 18 2 2 19 21 1 3 19 14 1 4 18 22 1 5 18 12 1 6 5 6 3 7 21 22 2 8 21 23 1 9 22 1 1 10 16 9 1 11 14 12 2 12 14 2 1 13 12 8 1 14 23 24 3 15 9 15 2 16 9 7 1 17 2 15 1 18 24 25 1 19 8 7 ar 20 8 11 ar 21 7 10 ar 22 25 26 3 23 11 20 1 24 11 13 ar 25 10 17 ar 26 26 27 1 27 27 4 3 28 17 13 ar 29 20 13 1