@MOLECULE 6-(4-hydroxy-3-methoxyphenyl)-3-(1h-pyrrol-2-ylmethylene)-1,3-dihydroindol-2-one 41 44 0 0 0 SMALL USER_CHARGES @ATOM 1 O -3.8157 -2.1424 0.7092 O.2 1 UNL1111111 -0.5564 2 O 5.5885 -1.3760 -1.1347 O.3 1 UNL1111111 -0.2998 3 O 6.9646 0.6247 0.3994 O.3 1 UNL1111111 -0.4776 4 N -1.5564 -1.8282 0.6861 N.am 1 UNL1111111 -0.5452 5 N -5.9008 -0.5643 0.0799 N.ar 1 UNL1111111 -0.2447 6 C -1.4193 0.3608 -0.0336 C.ar 1 UNL1111111 -0.0822 7 C -0.6670 -0.7757 0.3924 C.ar 1 UNL1111111 0.1932 8 C -2.8406 0.0100 0.0036 C.2 1 UNL1111111 -0.2155 9 C 1.3615 0.4369 0.1239 C.ar 1 UNL1111111 0.0563 10 C 0.7133 -0.7565 0.4808 C.ar 1 UNL1111111 -0.2416 11 C -0.7587 1.5214 -0.3833 C.ar 1 UNL1111111 -0.0946 12 C -2.8836 -1.3993 0.4849 C.2 1 UNL1111111 0.6168 13 C 0.6384 1.5529 -0.3008 C.ar 1 UNL1111111 -0.2051 14 C 2.8271 0.5010 0.2001 C.ar 1 UNL1111111 -0.0219 15 C -3.8515 0.8344 -0.3353 C.2 1 UNL1111111 0.0150 16 C -5.2598 0.6080 -0.3254 C.ar 1 UNL1111111 -0.0595 17 C 3.5935 -0.4428 -0.4866 C.ar 1 UNL1111111 -0.2046 18 C 3.4461 1.4966 0.9580 C.ar 1 UNL1111111 -0.1499 19 C 4.9886 -0.3942 -0.4163 C.ar 1 UNL1111111 0.1699 20 C 4.8360 1.5524 1.0370 C.ar 1 UNL1111111 -0.2365 21 C -6.2650 1.5243 -0.7155 C.ar 1 UNL1111111 -0.1589 22 C 5.6015 0.6122 0.3529 C.ar 1 UNL1111111 0.1518 23 C -7.2552 -0.4039 -0.0508 C.ar 1 UNL1111111 -0.0534 24 C -7.5086 0.8910 -0.5438 C.ar 1 UNL1111111 -0.2465 25 C 7.0100 -1.4168 -1.1436 C.3 1 UNL1111111 -0.1920 26 H 1.2826 -1.6190 0.8128 H 1 UNL1111111 0.1743 27 H -1.3063 2.3996 -0.7180 H 1 UNL1111111 0.1535 28 H -1.2901 -2.7285 1.0248 H 1 UNL1111111 0.3331 29 H 1.1698 2.4609 -0.5797 H 1 UNL1111111 0.1597 30 H -3.5813 1.8520 -0.6778 H 1 UNL1111111 0.1683 31 H 3.1170 -1.2180 -1.0869 H 1 UNL1111111 0.1813 32 H 2.8420 2.2257 1.4952 H 1 UNL1111111 0.1619 33 H 5.3175 2.3248 1.6306 H 1 UNL1111111 0.1586 34 H -5.4115 -1.3902 0.4013 H 1 UNL1111111 0.3505 35 H -6.1028 2.5175 -1.0753 H 1 UNL1111111 0.1550 36 H -7.9547 -1.1784 0.2010 H 1 UNL1111111 0.1682 37 H -8.4697 1.3091 -0.7477 H 1 UNL1111111 0.1606 38 H 7.3004 1.3713 0.9523 H 1 UNL1111111 0.3263 39 H 7.4023 -1.5850 -0.1352 H 1 UNL1111111 0.1431 40 H 7.4247 -0.5021 -1.5798 H 1 UNL1111111 0.1428 41 H 7.2092 -2.2825 -1.7891 H 1 UNL1111111 0.1454 @BOND 1 41 25 1 2 40 25 1 3 25 2 1 4 25 39 1 5 2 19 1 6 31 17 1 7 35 21 1 8 37 24 1 9 27 11 1 10 21 24 ar 11 21 16 ar 12 30 15 1 13 29 13 1 14 24 23 ar 15 17 19 ar 16 17 14 ar 17 19 22 ar 18 11 13 ar 19 11 6 ar 20 15 16 1 21 15 8 2 22 16 5 ar 23 13 9 ar 24 23 5 ar 25 23 36 1 26 6 8 1 27 6 7 ar 28 8 12 1 29 5 34 1 30 9 14 1 31 9 10 ar 32 14 18 ar 33 22 3 1 34 22 20 ar 35 7 10 ar 36 7 4 1 37 3 38 1 38 10 26 1 39 12 4 am 40 12 1 2 41 4 28 1 42 18 20 ar 43 18 32 1 44 20 33 1